| PDB CCD ID: | 6VL |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C20 H23 N3 O |
| InChI: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1 |
| InChIKey: | NCKLQXXBRWCYMA-FQEVSTJZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CCC1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4 | | OpenEye OEToolkits 2.0.5 | CC[C@@]1(c2c[nH]nc2NC3=C1C(=O)CC(C3)(C)C)c4ccccc4 | | CACTVS 3.385 | CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4 | | CACTVS 3.385 | CC[C@]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4 |
|
| Name: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one |
| ChEMBL: | CHEMBL4438334 |
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