PDB CCD ID: | FM9 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C18 H18 F N5 O S |
InChI: | InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22) |
InChIKey: | WIVGIKIKQHUFOD-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.6 | CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(cc3)F | ACDLabs 12.01 | Fc1ccc(cc1)C(=O)N(c3nc(c2ncnc(NC(C)C)c2)cs3)C | CACTVS 3.385 | CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc(F)cc3 |
|
Name: | 4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide |
ChEMBL: | CHEMBL566581 |
ZINC: | ZINC000045245958 |