PDB CCD ID: | K85 |
Number of entries in BioLiP: | 3 |
Chemical formula: | C16 H18 F3 N3 O3 |
InChI: | InChI=1S/C16H18F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h6-10H,4-5H2,1-3H3 |
InChIKey: | QJLVYXNWBWLHFD-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
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ACDLabs 12.01 | FC(F)(F)c2cc(c1ncn(n1)CCC(=O)OC(C)C)cc(OC)c2 | OpenEye OEToolkits 1.7.6 | CC(C)OC(=O)CCn1cnc(n1)c2cc(cc(c2)OC)C(F)(F)F | CACTVS 3.370 | COc1cc(cc(c1)C(F)(F)F)c2ncn(CCC(=O)OC(C)C)n2 |
|
Name: | propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate; KPT-185 |
ZINC: | ZINC000095921015 |