| PDB CCD ID: | QSF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H14 Cl N3 O2 |
| InChI: | InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1 |
| InChIKey: | FZPBWXZGXXKTLK-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 | | ACDLabs 12.01 | Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21 | | OpenEye OEToolkits 2.0.7 | CC1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 | | OpenEye OEToolkits 2.0.7 | C[C@@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 | | CACTVS 3.385 | C[C]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
|
| Name: | (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide |
umich.edu