| PDB CCD ID: | LZG |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C22 H19 Cl F2 N4 O3 S |
| InChI: | InChI=1S/C22H19ClF2N4O3S/c23-19-7-6-18(33-19)22(32)27-17-11-28(10-15(17)25)12-20(30)26-16-5-4-13(9-14(16)24)29-8-2-1-3-21(29)31/h1-9,15,17H,10-12H2,(H,26,30)(H,27,32)/t15-,17-/m0/s1 |
| InChIKey: | SXIYSYYSKHUTQQ-RDJZCZTQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | F[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O | | ACDLabs 10.04 | O=C(NC3C(F)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4 | | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl | | CACTVS 3.341 | F[C@H]1CN(C[C@@H]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O | | OpenEye OEToolkits 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(C(C3)F)NC(=O)c4ccc(s4)Cl |
|
| Name: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE |
| ChEMBL: | CHEMBL550453 |
| DrugBank: | DB08143 |
| ZINC: | ZINC000038995982 |
