| PDB CCD ID: | BL4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H16 N2 O2 |
| InChI: | InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1 |
| InChIKey: | NJBBBRZNBVLTRZ-GOSISDBHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | Cc1cccc2c1C(=O)C3(CCN(C3=N2)c4ccccc4)O | | CACTVS 3.341 | Cc1cccc2N=C3N(CC[C]3(O)C(=O)c12)c4ccccc4 | | OpenEye OEToolkits 1.5.0 | Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O | | ACDLabs 10.04 | O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O)C | | CACTVS 3.341 | Cc1cccc2N=C3N(CC[C@@]3(O)C(=O)c12)c4ccccc4 |
|
| Name: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one |
| ChEMBL: | CHEMBL1231375 |
| DrugBank: | DB07468 |
| ZINC: | ZINC000024970237 |
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