| PDB CCD ID: | 6WE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H17 F2 N3 O S |
| InChI: | InChI=1S/C16H17F2N3OS/c1-8-14(9(2)22-21-8)13-7-16(3,20-15(19)23-13)11-5-4-10(17)6-12(11)18/h4-6,13H,7H2,1-3H3,(H2,19,20)/t13-,16-/m0/s1 |
| InChIKey: | XCTPNVXKKHOANI-BBRMVZONSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1onc(C)c1[C@@H]2C[C@](C)(N=C(N)S2)c3ccc(F)cc3F | | OpenEye OEToolkits 2.0.5 | Cc1c(c(on1)C)C2CC(N=C(S2)N)(C)c3ccc(cc3F)F | | OpenEye OEToolkits 2.0.5 | Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F | | CACTVS 3.385 | Cc1onc(C)c1[CH]2C[C](C)(N=C(N)S2)c3ccc(F)cc3F |
|
| Name: | (4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine |
| ChEMBL: | CHEMBL4551234 |
| ZINC: | ZINC000220036741 |
umich.edu