| PDB CCD ID: | 75F |
| Number of entries in BioLiP: | 0 |
| 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/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 |
| InChIKey: | GLRYEFNRKJNSFB-PXNSSMCTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CC[C@@]1(c2cn[nH]c2N=C3[C@H]1C(=O)CC(C3)(C)C)c4ccccc4 | | CACTVS 3.385 | CC[C@]1([C@@H]2C(=O)CC(C)(C)CC2=Nc3[nH]ncc13)c4ccccc4 | | ACDLabs 12.01 | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | | CACTVS 3.385 | CC[C]1([CH]2C(=O)CC(C)(C)CC2=Nc3[nH]ncc13)c4ccccc4 | | OpenEye OEToolkits 2.0.5 | CCC1(c2cn[nH]c2N=C3C1C(=O)CC(C3)(C)C)c4ccccc4 |
|
| Name: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
umich.edu