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Alvocidib

PubChem CID: 5287969

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Compound Synonyms Flavopiridol, Alvocidib, 146426-40-6, Alvocidib freebase, L86-8275, L 868275, L-868275, Flavopiridol (Alvocidib), HMR-1275, HMR 1274, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one, L 86-8275, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one, CHEMBL428690, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, 45AD6X575G, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Alvocidib [INN], FLAVO, Flavoperidol, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidyl]chromen-4-one, Alvocidib [USAN], Alvocidib [USAN:INN], alvocidibum, UNII-45AD6X575G, CCRIS 9399, NSC 649890 HCl, 4H-1-BENZOPYRAN-4-ONE, 2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-((3S,4R)-3-HYDROXY-1-METHYL-4-PIPERIDINYL)-, (-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one, 1c8k, 1e1y, Alvocidib (USAN/INN), FLAVOPIRIDOL [MI], ALVOCIDIB [MART.], ALVOCIDIB [WHO-DD], SCHEMBL3652, Flavopiridol HCl, Alvocidib, BDBM5655, GTPL5680, CHEBI:47344, DTXSID20904970, EX-A1901, Flavopiridol,Alvocidib, HMR-1275, HMR-1274, MFCD20501884, NSC799330, s1230, AKOS022182942, CCG-268666, DB03496, FF65024, NSC-799330, SDCCGSBI-0646527.P001, (-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-((3R,4S)-3-hydroxy-1-methyl-4-piperidinyl)-, rel-(-)-, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, cis-(-)-, AS-74761, HY-10005, NS00071644, D09868, EN300-22867972, Q4063441, BRD-K87909389-001-01-2, BRD-K87909389-003-03-4, BRD-K87909389-003-04-2, (-)-CIS-2-(2-CHLOROPHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYLPIPERIDIN-4-YL)-4H-1-BENZOPYRAN-4-ONE, 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-
Topological Polar Surface Area 90.2
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 28.0
Isotope Atom Count 0.0
Molecular Complexity 628.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 2.0
Uniprot Id O96020, O95067, P24385, P22612, Q04759, P17252, P05771, Q05655, Q02156, P24723, Q08881, P06239, P43403, P00533, P04626, P24941, P14635, P78396, P09217, P11217, P30279, P50613, Q15078, Q00534, P49841, Q8N5S9, Q00535, Q00536, Q96RR4, P11309, Q9P1W9, P49761, O14976, Q9UQM7, P49760, Q15349, Q9HBH9, O75582, P15735, P49759, P54762, Q13554, O00444, P54756, O94768, Q13131, n.a., P36888, P35916, P42685, O75914, Q00537, Q07002, O15530, O94921, Q16816, Q99755, Q9UK32, Q86YV6, Q9H2G2, P35968, P30291, Q86UX6, P07947, O00506, Q9NYL2, P78356, P22694, P51817, Q14289, Q9BRS2, P41240, Q8N752, P48730, P49674, P78368, Q9Y6M4, Q02763, Q9UKI8, Q86UE8, Q9UKE5, Q07912, P04629, Q16620, Q16288, P33981, P42681, P68400, P19784, Q9UIK4, O43293, Q9Y463, P27361, P28482, P49840, Q14164, P29597, Q06418, P45983, P45984, P53667, P53671, Q15831, P27448, Q02750, P36507, P46734, Q14680, Q9BUB5, Q2M2I8, P00519, Q13043, Q9P289, Q8TDX7, Q9UBE8, Q16539, Q15759, P53778, P08631, P08069, P06213, P14616, P42684, Q04771, Q9Y616, P23458, O60674, P52333, P53779, P10721, O14730, Q9H0K1, Q96SB4, P78362, P36896, P27037, Q13705, Q9BYT3, Q13470, Q59H18, Q9BXA7, Q9NY57, P06241, Q9P2K8, Q9UM73, P54646, Q8NFD2, Q16832, Q09013, P37023, Q8NI60, P31749, P31751, Q9Y243, Q6DT37, O95835, Q9NRM7, O94804, P29376, P07948, Q9Y6R4, Q99683, Q92918, Q9P286, Q9UEE5, O60285, O14965, P16234, P09619, P42336, Q86V86, P17612, Q99640, Q8IVH8, Q96GD4, P30530, Q9NSY1, P51451, P36894, Q13873, P15056, Q8TDC3, Q8IU85, Q96NX5, O95819, Q9Y4K4, P49137, Q8IW41, Q9P0L2, Q7KZI7, Q96L34, P45985, P52564, Q12866, P08581, Q13557, Q13555, Q16566, P21127, Q9UQ88, Q9BWU1, P49336, P11799, P80192, Q02779, Q16584, Q5VT25, Q9Y5S2, Q13188, Q9Y6E0, O15146, Q15746, Q9H1R3, O14757, O14578, Q9HAZ1, P07333, Q9HCP0, P53355, O15075, Q8N568, Q9C098, Q8NEV4, Q8WXR4, Q9Y2H1, Q96PY6, P51955, Q6P3R8, Q9HC98, Q8TD19, Q13153, Q13177, O96013, Q08345, Q96D53, Q9UQB9, P51813, Q8IWQ3, Q06187, Q14012, Q00526, P50750, Q9NQU5, Q9H093, P57059, P12931, Q9H3Y6, O75716, Q9NRP7, P43405, P42680, Q15569, P36897, P21709, P29317, P29320, P54764, Q9UF33, Q15375, P29322, P37173, P35590, Q16512, Q16513, P53350, Q9H4B4, P29323, P54753, P54760, P68370, Q16659, P31152, Q13164, Q8TD08, P16591, Q15139, Q9BZL6, O94806, Q13976, Q13237, P19525, Q05397, Q13882, P04049, P07949, Q13546, P07332, P11362, P21802, P22607, P22455, P09769, P17948, O43353, P08922, Q15418, P51812, O75676, P06493, P11802, O60656, Q9Y2K2, Q6ZN16, O96017, Q52WX2, Q8N4C8, Q15303, Q6PHR2, Q8WU08, Q8IVW4, O00238, O15111, O75460, O14920, P51617, P48729, P21860, P42679, Q99759, Q04912, P51956, O00750, P48736, Q9UBF8, P41743, O15264, Q15835, P51957, O76039, P23443, O75385, Q92630, O14936, Q14004, Q13523, Q92772, Q00532, O15197, O75747, Q12851, O95382, O43283, O75116, P42345, O00329, O95747, Q13464, Q9H422, P20794, Q13233, P42338, Q86Y07, Q12852, Q9Y2U5, Q9NYY3, Q15208, O60331, Q9UEW8, Q9UHD2, Q96BR1, Q9UPE1, Q9BQI3, P57058, Q8IYT8, Q9UPZ9, Q9Y2H9, Q9NWZ3, Q9UL54, Q9H2K8, Q9BX84, Q9NRH2, Q9BVS4, P57078, Q7L7X3, Q9H2X6, Q8TBX8, Q56UN5, P9WI81, Q8TDR2, Q13627, Q96Q40, Q8WTQ7, Q8NE63, Q13163, O14733, O43318, Q8NG66, Q86Z02, Q8IY84, Q32MK0, P32298, Q5S007, P0C1S8, P0C264, Q6XUX3, P62344, P61075, I6LNT8, P22518, Q63470, P00489, P51948, P20248, Q6JQN1, Q709F0, P49748, Q15067, O15254, Q9ULC5, P61160, P61158, Q86TW2, P55263, P25098, P54819, P07741, P10398, Q13535, P11274, O43683, P49589, Q15131, Q9NYV4, Q14839, P30085, P08574, P27707, Q9H773, Q92499, O00571, Q86XP3, P26196, Q15392, Q7L2E3, P31689, O60841, P18074, Q76MJ5, P38117, Q9NSD9, P22830, P41250, P04899, Q9BZE4, P30519, Q58FF8, Q9NSE4, Q13418, P12268, P31153, P33991, Q9NU22, P35580, Q7Z406, Q9H0A0, Q9P0J0, P22392, P16083, Q9NTK5, O60313, P22234, Q96RG2, P49585, O00764, P30086, Q01813, Q6P5Z2, P54619, Q9UGJ0, P13861, Q05513, P43686, P11216, P06737, Q6ZSR9, P61026, P51159, P20340, Q5HYI8, P62826, Q9Y572, Q9UHD8, P42285, P05141, P12236, Q14683, O95347, O75643, P08240, Q7RTN6, Q96S53, Q9Y2W1, P11388, Q02880, Q96S44, P49411, P54577, P06400, Q4G0J3
Iupac Name 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
Prediction Hob 1.0
Target Id NPT182, NPT881, NPT761, NPT13, NPT285, NPT286, NPT3783, NPT1571, NPT1423, NPT1371, NPT3346, NPT3347, NPT2213, NPT3240, NPT36, NPT281, NPT591
Xlogp 3.3
Molecular Formula C21H20ClNO5
Prediction Swissadme 1.0
Inchi Key BIIVYFLTOXDAOV-YVEFUNNKSA-N
Fcsp3 0.2857142857142857
Logs -3.786
Rotatable Bond Count 2.0
Logd 2.271
Compound Name Alvocidib
Prediction Hob Swissadme 1.0
Exact Mass 401.103
Formal Charge 0.0
Monoisotopic Mass 401.103
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 401.8
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -4.172102342857143
Inchi InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
Smiles CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O
Nring 4.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Dysoxylum Binectariferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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