| PDB CCD ID: | IVK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C25 H21 Cl F4 N4 O3 |
| InChI: | InChI=1S/C25H21ClF4N4O3/c26-15-4-6-16(7-5-15)31-23(36)18-12-33(14-25(28,29)30)13-19(18)24(37)32-21-9-8-17(11-20(21)27)34-10-2-1-3-22(34)35/h1-11,18-19H,12-14H2,(H,31,36)(H,32,37)/t18-,19-/m0/s1 |
| InChIKey: | TYMJFUUUNPEDQB-OALUTQOASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | c1cc(ccc1NC(=O)C2CN(CC2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl | | CACTVS 3.352 | Fc1cc(ccc1NC(=O)[C@H]2CN(C[C@@H]2C(=O)Nc3ccc(Cl)cc3)CC(F)(F)F)N4C=CC=CC4=O | | CACTVS 3.352 | Fc1cc(ccc1NC(=O)[CH]2CN(C[CH]2C(=O)Nc3ccc(Cl)cc3)CC(F)(F)F)N4C=CC=CC4=O | | ACDLabs 10.04 | FC(F)(F)CN4CC(C(=O)Nc1ccc(Cl)cc1)C(C(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4 | | OpenEye OEToolkits 1.6.1 | c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl |
|
| Name: | (3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-1-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-3,4-DICARBOXAMIDE |
| ChEMBL: | CHEMBL1221628 |
| ZINC: | ZINC000058660685 |
