PDB CCD ID: | Q76 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C7 H9 F3 N4 O |
InChI: | InChI=1S/C7H9F3N4O/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10/h2-3H,11H2,1H3,(H2,12,13,14,15) |
InChIKey: | OAGUFEGPGQTLPR-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | FC(F)(F)c1cc(NC(=O)C(C)N)[NH]n1 | OpenEye OEToolkits 2.0.7 | CC(C(=O)Nc1cc(n[nH]1)C(F)(F)F)N | CACTVS 3.385 | C[C@H](N)C(=O)Nc1[nH]nc(c1)C(F)(F)F | CACTVS 3.385 | C[CH](N)C(=O)Nc1[nH]nc(c1)C(F)(F)F | OpenEye OEToolkits 2.0.7 | C[C@@H](C(=O)Nc1cc(n[nH]1)C(F)(F)F)N |
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Name: | N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide |