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Staurosporine

PubChem CID: 44259

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Compound Synonyms staurosporine, Staurosporin, 62996-74-1, (+)-Staurosporine, Antibiotic 230, Antibiotic AM 2282, AM-2282, CCRIS 3272, Alkaloid AM-2282 from Streptomyces, Antibiotic AM-2282, H88EPA0A3N, DTXSID6041131, CHEBI:15738, (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-17-oxa-4b,9a,15-triaza-5,9-methanodibenzo[b,h]cyclonona[jkl]cyclopenta[e]-as-indacen-14-one, STAUROSPORINE [MI], CHEMBL388978, 8,12-Epoxy-1H,8H-2,7b,12a-triazadibenzo(a,g)cyclonona(cde)trinden-1-one, 2,3,9,10,11,12-hexahydro-9-methoxy-8-methyl-10-(methylamino)-, (8alpha,9beta,10beta,12alpha)-(+)-, CGP-39360, (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one, (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one, 9,13-Epoxy-1H,9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)-benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S-(9alpha,10beta,11beta,13alpha)-, (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one, UNII-H88EPA0A3N, GNF-PF-1389, methoxy-methyl-(methylamino)[?]one, SR-00000001485, NSC618487, Staurosporin, 4, 1nvr, 1stc, 1xbc, 1xjd, 1yhs, 2gcd, Staurosporine, 8, C28H26N4O3, (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo(12.12.2.1^(2,6).0^(7,28).0^(8,13).0^(15,19).0^(20,27).0^(21,26))nonacosa-8,10,12,14(28),15(19),20(27),21,23,25-nonaen-16-one, (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo(12.12.2.12,6.07,28.08,13.015,19.020,27.021,26)nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one, (5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo(b,h)cyclonona(1,2,3,4-jkl)cyclopenta(e)-as-indacen-14-one, (9alpha,10beta,11beta,13alpha)-(+)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H-9H-diindolo(1,2,3-gh:3',2',1'-lm)pyrrolo(3,4-j)(1,7)benzodiazonin-1-one, (9alpha,10beta,11beta,13alpha)-(+)-2,3,10,11,12,13-Hexahydro-10-methoxy-9-methyl-11-(methylamino)-9,13-epoxy-1H-9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 1-((2R,3S,4S,6S)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo(12.12.2.12,6.07,28.08,13.015,19.020,27.021,26)nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl)-1-methylurea, 1-[(2R,3S,4S,6S)-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-1-methylurea, CGP 39360, Staurosporine & TNF, Staurosporine (GMP), 1q3d, 1sm2, 2dq7, MolMap_000047, SCHEMBL8157, CBiol_001978, BSPBio_001146, GTPL346, BDBM2579, MEGxm0_000307, 1u59, BCPP000063, Bio1_000264, Bio1_000753, Bio1_001242, DTXCID201340061, HMS1990J07, HMS3650B17, EX-A1777, AM2282, HB0590, HY-15141G, NSC755774, s1421, Staurosporin and Antibiotic AM-2282, AKOS015897119, AM 2282, AS27871, CCG-208052, DB02010, NSC-755774, QTL1_000078, NCGC00162400-01, NCGC00162400-02, NCGC00162400-03, NCGC00162400-04, NCGC00162400-05, NCGC00162400-06, NCGC00162400-09, AC-35765, HY-15141, NS00011817, Staurosporine & Tumor necrosis factor (TNF), T4000, Q5957181, SR-00000001485-4, BRD-K17953061-001-02-8, BRD-K17953061-001-04-4, BRD-K17953061-001-05-1, BRD-K17953061-001-08-5, BRD-K17953061-001-10-1, BRD-K17953061-001-11-9, (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-16-one, (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one, (9S,10R,11R,13R)- 2,3,10,11,12,13-HEXAHYDRO-10-METHOXY-9-METHYL-11-(METHYLAMINO)-9,13-EPOXY-1H,9H-DIINDOLO(1,2,3-GH:3',2',1'-LM)PYRROLO(3,4-J)(1,7)BENZODIAZONIN-1-ONE, 109189-95-9, 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- & Tumor necrosis factor (TNF), 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, (9S,10R,11R,13R)- (9CI), 9,13-Epoxy-1H,9H-diindolo[1,2,3-gh:3',2',1'-lm]pyrrolo[3,4-j][1,7]benzodiazonin-1-one, 2,3,10,11,12,13-hexahydro-10-methoxy-9-methyl-11-(methylamino)-, [9S-(9alpha,10beta,11beta,13alpha)]-
Topological Polar Surface Area 69.5
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 35.0
Isotope Atom Count 0.0
Molecular Complexity 901.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id P49841, P09217, P00517, P00516, P11799, P17252, P05771, P05129, Q05655, Q02156, Q05513, P24723, Q9UQM7, P12931, Q04759, P22612, P00533, Q02750, P28482, P63319, Q15746, P06239, P24385, n.a., P35968, P06493, P48729, P19784, P08069, P16234, O95067, O96020, P21802, P06213, P42684, P45985, P52564, P53778, P16277, P27791, P90584, Q16816, P11440, Q01279, Q8CH19, P63085, P15208, P26618, O14920, P00519, P42685, P08631, Q9UEE5, Q9UQB9, P41240, P53779, Q9NRP7, P07947, Q9Y6R4, P09769, Q9NSY1, Q15375, P54762, Q9HBH9, Q9Y4K4, P51813, P45984, P29322, P07948, Q06187, P29320, Q9H2G2, O94804, O43353, P54764, P54756, Q9UF33, O14976, Q13131, P15735, P06241, P11362, Q9UKE5, Q02763, P29317, P49674, O00444, P36888, P10721, P35916, P09619, P22607, Q2M2I8, O14965, Q3U3Q1, O94768, P49759, Q9HAZ1, P45983, Q96RR4, Q96NX5, Q14012, P24941, Q9Y2H1, Q15349, Q13043, Q7KZI7, O75582, Q8IU85, Q9UIK4, O75716, Q9P1W9, O43293, P49760, Q9JI10, Q00536, P33981, P04629, Q00535, Q8TD19, P49761, P78368, P51955, P53667, Q99683, Q9H1R3, Q05397, P51812, P16591, Q07912, P11309, O60674, O96013, P43405, Q9P286, Q13554, Q13153, O75914, Q13557, Q13555, Q9NQU5, Q8N5S9, P31749, P31751, Q9Y243, O14757, P49137, P04049, P27361, P08581, P52333, Q06418, P54760, P42680, P41743, P14635, Q00526, Q15078, Q00534, P50750, O15111, P43403, O96017, P53355, Q15303, P17948, Q86Z02, Q9NWZ3, Q8N4C8, Q13188, Q13177, Q9NYY3, P07949, Q13464, Q15418, O43318, Q15750, Q15046, P08922, Q00537, Q07002, O15530, O94921, Q99755, Q9UK32, Q86YV6, P30291, Q86UX6, O00506, Q9NYL2, P78356, P22694, P51817, Q14289, Q8N752, P48730, P35590, Q9UKI8, Q86UE8, Q16620, Q16288, Q9Y6M4, P68400, Q9Y463, P49840, P42681, P29597, Q14164, P53671, Q15831, P27448, P36507, P46734, Q14680, Q9BUB5, Q9P289, Q8TDX7, Q9UBE8, Q16539, Q15759, Q9P2K8, P14616, Q9Y616, Q08881, P23458, Q9BRS2, O14730, Q9H0K1, Q96SB4, Q04771, P36896, P27037, Q13705, P78362, Q9BYT3, Q13470, Q59H18, Q9BXA7, Q9NY57, Q9UM73, P54646, Q08345, Q16832, Q09013, P37023, Q8NI60, O95835, Q9NRM7, P29376, Q6DT37, Q8NFD2, O60285, P42336, Q86V86, P17612, Q92918, Q8IVH8, Q96GD4, P30530, P51451, P36894, Q13873, P15056, Q8TDC3, O95819, Q8IW41, Q9P0L2, Q96L34, Q12866, Q16566, P21127, Q9UQ88, Q9BWU1, P49336, P80192, Q02779, Q16584, Q5VT25, Q9Y5S2, Q9Y6E0, O15146, O14578, P07333, Q9HCP0, O15075, Q8N568, Q9C098, Q8NEV4, Q8WXR4, Q96PY6, Q6P3R8, Q9HC98, Q96D53, Q8IWQ3, P50613, Q9H093, P57059, Q9H3Y6, Q15569, P36897, P21709, P37173, Q99640, Q16512, Q16513, P53350, Q9H4B4, P29323, P54753, P04626, P68370, Q16659, P31152, Q13164, Q8TD08, Q15139, Q9BZL6, O94806, Q13976, Q13237, P19525, Q13882, P07332, P22455, Q13546, O75676, Q99558, Q13163, P46063, P10636, P00352, P02791, Q03164, Q92830, P49798, Q9Y2K2, P11802, Q6ZN16, Q52WX2, Q6PHR2, Q8WU08, Q8IVW4, O00238, O75460, P51617, P21860, P42679, Q99759, Q04912, P51956, O00750, P48736, Q9UBF8, O15264, Q15835, P51957, O76039, P23443, O75385, Q92630, O14936, Q14004, Q13523, Q92772, Q00532, O15197, O75747, Q12851, O95382, O43283, O75116, P42345, O00329, O95747, Q9H422, P20794, Q13233, P42338, Q86Y07, Q12852, Q9Y2U5, Q15208, O60331, Q9UEW8, Q9UHD2, Q96BR1, Q9UPE1, Q9BQI3, P57058, Q8IYT8, Q9UPZ9, Q9Y2H9, Q9UL54, Q9H2K8, Q9BX84, Q9NRH2, Q9BVS4, P57078, Q7L7X3, Q9H2X6, Q8TBX8, Q56UN5, P9WI81, Q8TDR2, Q13627, Q96Q40, Q8WTQ7, Q8NE63, O14733, Q8NG66, Q8IY84, Q32MK0, P32298, Q5S007, P0C1S8, P0C264, Q6XUX3, P62344, P61075, O14746, P08183, P78396, P34947, P43250, Q9UGI9, Q8TF76, Q16644, Q9BYP7, Q96PF2, O00418, Q96RG2, O00141, Q9HBY8, Q9Y3S1, Q01538, O75909, P20248, P27695, P19099, P55210, P11274, Q61241, P24863, O95342, Q92887, O15438, O15439, P06400, P24864, Q9NYV4, P51948, Q6P2M8, O00311, Q8ND76, P22674, P11802, P30281, O60583, O43781, Q76MJ5, P35557, P25098, P35626, Q8IVT5, Q6VAB6, Q5TCX8, Q86SG6, Q8TAX0, Q9UBS0, Q96KB5, Q15118, Q9H792, Q6P5Z2, Q9BXA6, Q96PN8, Q9H4A3, Q96Q04, Q12809, Q16204, P33176
Iupac Name (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one
Prediction Hob 1.0
Target Id NPT591, NPT182, NPT760, NPT880, NPT881, NPT761, NPT3124, NPT36, NPT285, NPT491, NPT282, NPT2626, NPT13, NPT1478, NPT1423, NPT1438, NPT2574, NPT3319, NPT1691, NPT981, NPT2729, NPT728, NPT1430, NPT2546, NPT1608, NPT2573, NPT1479, NPT1441, NPT1424, NPT281, NPT1337, NPT14, NPT1440, NPT1700, NPT3394, NPT1265, NPT1371, NPT3345, NPT982, NPT1431, NPT1449, NPT3259, NPT1432, NPT833, NPT1630, NPT1680, NPT1721, NPT3217, NPT2572, NPT1435, NPT1480, NPT1481, NPT3227, NPT301, NPT1650, NPT3444, NPT3425, NPT3246, NPT3111, NPT3381, NPT3331, NPT1442, NPT3020, NPT3223, NPT3414, NPT3370, NPT592, NPT3106, NPT3442, NPT4146, NPT2576, NPT3239, NPT3174, NPT3373, NPT3168, NPT1598, NPT1426, NPT3277, NPT4147, NPT47, NPT51, NPT94, NPT3261, NPT3369, NPT1705, NPT1661, NPT144, NPT1436, NPT3267, NPT831, NPT3390, NPT3270, NPT1712, NPT3353, NPT3448, NPT1703, NPT1656, NPT1658, NPT1659, NPT1433, NPT1660, NPT3215, NPT3304, NPT3287, NPT3313, NPT3293, NPT3160, NPT676, NPT3230, NPT1434, NPT3960, NPT2575, NPT4088, NPT1689, NPT1611, NPT1699, NPT1448, NPT1613, NPT3367, NPT1427, NPT3320, NPT3214, NPT3225, NPT3354, NPT3212, NPT2941, NPT3244, NPT1437, NPT3372, NPT286, NPT3309, NPT3333, NPT283, NPT3455, NPT3357, NPT3276, NPT1663, NPT1439, NPT713, NPT1695, NPT3351, NPT1028, NPT1701, NPT3107, NPT3362, NPT3363, NPT3423, NPT3213, NPT3120, NPT3114, NPT3245, NPT3206, NPT3312, NPT3314, NPT2750, NPT3315, NPT3344, NPT3232, NPT1672, NPT1673, NPT1674, NPT1675, NPT1676, NPT1677, NPT3248, NPT1678, NPT3265, NPT1684, NPT1685, NPT1686, NPT3273, NPT1681, NPT1682, NPT1683, NPT3231, NPT3113, NPT3388, NPT3236, NPT3335, NPT3336, NPT3342, NPT3303, NPT3412, NPT1688, NPT3306, NPT1709, NPT3274, NPT3399, NPT3460, NPT3218, NPT3219, NPT3220, NPT3211, NPT3216, NPT3359, NPT1890, NPT3112, NPT3204, NPT4448, NPT3311, NPT3395, NPT4031, NPT5020, NPT3447, NPT3457, NPT3438, NPT4093, NPT3205, NPT3316, NPT3432, NPT3409, NPT3439, NPT3275, NPT3386, NPT3286, NPT3109, NPT3307, NPT3308, NPT3242, NPT3278, NPT3279, NPT1707, NPT3410, NPT3461, NPT1612, NPT3317, NPT3235, NPT3280, NPT3318, NPT1690, NPT3281, NPT3440, NPT3411, NPT3413, NPT3389, NPT3407, NPT3282, NPT3441, NPT3243, NPT3326, NPT3327, NPT3328, NPT3283, NPT3329, NPT3330, NPT3374, NPT3419, NPT1711, NPT3332, NPT1693, NPT3446, NPT3255, NPT3338, NPT3339, NPT3340, NPT3443, NPT3391, NPT3396, NPT3341, NPT3241, NPT3445, NPT3285, NPT1614, NPT1615, NPT6508, NPT3247, NPT1696, NPT1697, NPT3454, NPT1713, NPT1443, NPT3224, NPT3364, NPT3366, NPT887, NPT3365, NPT3368, NPT3358, NPT1702, NPT3262, NPT3263, NPT1447, NPT3451, NPT3234, NPT3254, NPT3380, NPT3456, NPT3418, NPT3349, NPT3290, NPT3378, NPT1706, NPT3348, NPT3429, NPT3350, NPT3291, NPT3292, NPT1708, NPT3334, NPT3299, NPT1717, NPT3300, NPT3257, NPT3296, NPT1710, NPT3233, NPT3416, NPT3431, NPT3426, NPT3427, NPT3417, NPT3352, NPT3268, NPT3269, NPT3297, NPT3271, NPT3462, NPT3272, NPT3398, NPT3422, NPT3382, NPT4449, NPT4096, NPT3434, NPT1687, NPT98, NPT3221, NPT3384
Xlogp 3.2
Molecular Formula C28H26N4O3
Prediction Swissadme 1.0
Inchi Key HKSZLNNOFSGOKW-FYTWVXJKSA-N
Fcsp3 0.3214285714285714
Logs -7.543
Rotatable Bond Count 2.0
Logd 3.639
Compound Name Staurosporine
Prediction Hob Swissadme 1.0
Exact Mass 466.2
Formal Charge 0.0
Monoisotopic Mass 466.2
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 466.5
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Esol -5.266211342857145
Inchi InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Smiles C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
Nring 8.0
Defined Bond Stereocenter Count 0.0

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