BIT
Summary
| Name: | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE |
| Synonyms: | (S)-BLEBBISTATIN (3AS)-3A-HYDROXY-6-METHYL-1-PHENYL-3,3A-DIHYDRO-1H-PYRROLO[2,3-B]QUINOLIN-4(2H)-ONE |
| Formula: | C18 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aS)-3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| OpenEye OEToolkits | 1.5.0 | (3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4 |
| SMILES | CACTVS | 3.341 | Cc1ccc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O |
| InChI | InChI | 1.03 | InChI=1S/C18H16N2O2/c1-12-7-8-15-14(11-12)16(21)18(22)9-10-20(17(18)19-15)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | LZAXPYOBKSJSEX-GOSISDBHSA-N |
