| PDB CCD ID: | G7Q |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H26 F2 N4 O2 S |
| InChI: | InChI=1S/C18H26F2N4O2S/c1-12(25)14-11-27-17(22-14)23-16(26)15-10-21-7-9-24(15)8-4-13-2-5-18(19,20)6-3-13/h11,13,15,21H,2-10H2,1H3,(H,22,23,26)/t15-/m1/s1 |
| InChIKey: | XAAULFWATXYIOV-OAHLLOKOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)c1csc(n1)NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F | | CACTVS 3.385 | CC(=O)c1csc(NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)n1 | | CACTVS 3.385 | CC(=O)c1csc(NC(=O)[C@H]2CNCCN2CCC3CCC(F)(F)CC3)n1 | | OpenEye OEToolkits 2.0.6 | CC(=O)c1csc(n1)NC(=O)[C@H]2CNCCN2CCC3CCC(CC3)(F)F |
|
| Name: | (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide |
| ChEMBL: | CHEMBL4633281 |
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