| PDB CCD ID: | K52 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H22 N4 O4 S |
| InChI: | InChI=1S/C21H22N4O4S/c1-14(16-9-11-18(12-10-16)30(28,29)24-15(2)26)22-21(27)20-13-19(23-25(20)3)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,22,27)(H,24,26)/t14-/m1/s1 |
| InChIKey: | ALORMMGXOAQIFS-CQSZACIVSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)[S](=O)(=O)NC(C)=O | | OpenEye OEToolkits 2.0.7 | CC(c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3 | | CACTVS 3.385 | C[C@@H](NC(=O)c1cc(nn1C)c2ccccc2)c3ccc(cc3)[S](=O)(=O)NC(C)=O |
|
| Name: | ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide |
| ChEMBL: | CHEMBL4588817 |
umich.edu