2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
PubChem CID: 3973
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 154447-36-6, LY294002, LY 294002, 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one, LY-294002, 2-morpholino-8-phenyl-4H-chromen-4-one, 2-morpholin-4-yl-8-phenyl-4H-chromen-4-one, 2-morpholin-4-yl-8-phenylchromen-4-one, 2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one, 31M2U1DVID, 15447-36-6, CHEBI:65329, 2-(morpholin-4-yl)-8-phenylchromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl-, MFCD00270881, 2-morpholino-8-phenyl-chromen-4-one, NSC 697286, NSC-697286, SF-1101, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, CHEMBL98350, DTXSID6042650, SF 1101, LY2, LY-294,002, UNII-31M2U1DVID, BMK1-D5, Lys 294002, 4azt, Kinome_3543, Tocris-1130, 1yi3, LY 29400, BiomolKI_000029, Lopac-L-9908, 8-Phenyl-2-(morpholin-4-yl)-chromen-4-one, BiomolKI2_000037, CBiol_002046, Lopac0_000710, SCHEMBL94377, BSPBio_001223, KBioGR_000563, KBioSS_000563, MLS006010131, 2-Morpholino-8-phenylchromone, 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl, GTPL6004, DTXCID4022650, BCBcMAP01_000117, BDBM12915, KBio2_000563, KBio2_003131, KBio2_005699, KBio3_001005, KBio3_001006, EX-A073, BCPP000177, Bio1_000332, Bio1_000821, Bio1_001310, Bio2_000442, Bio2_000922, HMS1362M05, HMS1792M05, HMS1990M05, HMS3229G17, HMS3403M05, HMS3649E04, HMS3654M21, BCP00195, HSCI1_000206, NSC697286, NSC755769, s1105, AKOS017344742, BCP9000880, CCG-100633, CS-0150, DB02656, NSC-755769, SB10965, SDCCGSBI-0050688.P003, SDCCGSBI-0050688.P009, IDI1_002197, PI3K/BET INHIBITOR LY294002, NCGC00015622-01, NCGC00015622-02, NCGC00015622-03, NCGC00015622-04, NCGC00015622-05, NCGC00015622-06, NCGC00015622-07, NCGC00015622-23, NCGC00015622-27, NCGC00025020-01, NCGC00025020-02, NCGC00025020-03, NCGC00025020-04, NCGC00179253-01, AC-30295, AS-16252, HY-10108, NCI60_034712, SMR002530642, SY052711, 2-Morpholin-4-yl-8-phenyl-chromen-4-one, DB-228223, LY-924002, LY294002?, M2410, NS00068117, SW217688-2, 2-Morpholino-8-phenyl-4-oxo-4H-1-benzopyran, K00235, EN300-1692893, Q4042503, SR-01000076245-7, BRD-K27305650-001-05-9, BRD-K27305650-001-16-6, BRD-K27305650-003-02-2, LY-294,002 hydrochloride, solid, >=98% (HPLC), Z211317670, LY 294002 - CAS 154447-36-6, 4H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI), H-1-Benzopyran-4-one, 2-(4-morpholinyl)-8-phenyl- (9CI), LY 294002, 2-(4-Morpholino)-8-phenyl-4H-1-benzopyran-4-one, 960-639-4 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-morpholin-4-yl-8-phenylchromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT2556, NPT5100, NPT1444, NPT940, NPT1446, NPT3376, NPT1445, NPT3392, NPT1575, NPT591, NPT3358, NPT831, NPT1265, NPT1701, NPT2816, NPT3898, NPT3899 |
| Xlogp | 3.1 |
| Molecular Formula | C19H17NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -4.784 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.143 |
| Compound Name | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3946464086956523 |
| Inchi | InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 |
| Smiles | C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Clausena Lansium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sigesbeckia Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients