PDB CCD ID: | VMY |
Number of entries in BioLiP: | 6 |
Chemical formula: | C18 H16 F2 N6 O S2 |
InChI: | InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25)/t18-/m0/s1 |
InChIKey: | UXRSVTXAGGLLHU-SFHVURJKSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | Cc1csc(n1)[C](C)(O)c2sc(Nc3ccn(Cc4c(F)cccc4F)n3)nn2 | ACDLabs 12.01 | Fc1cccc(F)c1Cn4nc(Nc2nnc(s2)C(O)(c3nc(cs3)C)C)cc4 | OpenEye OEToolkits 1.9.2 | Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O | OpenEye OEToolkits 1.9.2 | Cc1csc(n1)C(C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O | CACTVS 3.385 | Cc1csc(n1)[C@](C)(O)c2sc(Nc3ccn(Cc4c(F)cccc4F)n3)nn2 |
|
Name: | (1S)-1-(5-{[1-(2,6-DIFLUOROBENZYL)-1H-PYRAZOL-3-YL]AMINO}-1,3,4-THIADIAZOL-2-YL)-1-(4-METHYL-1,3-THIAZOL-2-YL)ETHANOL |
ChEMBL: | CHEMBL3088172 |
ZINC: | ZINC000095921165 |