| PDB CCD ID: | OYJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H21 Cl F2 N4 O5 S |
| InChI: | InChI=1S/C24H21ClF2N4O5S/c1-37(35,36)30-12-16(23(33)28-14-5-7-18(25)19(26)10-14)17(13-30)24(34)29-21-8-6-15(11-20(21)27)31-9-3-2-4-22(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,29,34)/t16-,17-/m0/s1 |
| InChIKey: | XRNMSDIWHHURFN-IRXDYDNUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl | | ACDLabs 10.04 | O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4 | | OpenEye OEToolkits 1.6.1 | CS(=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl | | CACTVS 3.352 | C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4 | | CACTVS 3.352 | C[S](=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4 |
|
| Name: | (3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} |
| ChEMBL: | CHEMBL1222130 |
| ZINC: | ZINC000058590849 |
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