| PDB CCD ID: | JR5 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H21 F N4 O3 S |
| InChI: | InChI=1S/C18H21FN4O3S/c1-22-17(14-4-2-5-15(14)21-22)20-18(24)16-6-3-11-23(16)27(25,26)13-9-7-12(19)8-10-13/h7-10,16H,2-6,11H2,1H3,(H,20,24)/t16-/m0/s1 |
| InChIKey: | ZYGWHQCDHVLXGI-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1nc2CCCc2c1NC(=O)[C@@H]3CCCN3[S](=O)(=O)c4ccc(F)cc4 | | OpenEye OEToolkits 2.0.6 | Cn1c(c2c(n1)CCC2)NC(=O)C3CCCN3S(=O)(=O)c4ccc(cc4)F | | OpenEye OEToolkits 2.0.6 | Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F | | CACTVS 3.385 | Cn1nc2CCCc2c1NC(=O)[CH]3CCCN3[S](=O)(=O)c4ccc(F)cc4 |
|
| Name: | (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide |
| ZINC: | ZINC000035596684 |
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