WTT
Summary
| Name: | [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid |
| Formula: | C30 H28 F3 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 551.556 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[4-[2-[[4-(trifluoromethyloxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC1CCC(CC1)c1ccc(cc1)c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21- |
| InChIKey | InChI | 1.06 | KFGSQOIWOCDWAS-XUTJKUGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccc4nc(cn4c3)C(=O)NCc5ccc(OC(F)(F)F)cc5 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1CC[CH](CC1)c2ccc(cc2)c3ccc4nc(cn4c3)C(=O)NCc5ccc(OC(F)(F)F)cc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)c2cn3cc(ccc3n2)c4ccc(cc4)C5CCC(CC5)CC(=O)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CNC(=O)c2cn3cc(ccc3n2)c4ccc(cc4)C5CCC(CC5)CC(=O)O)OC(F)(F)F |
