OIH
Summary
| Name: | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid |
| Formula: | C28 H32 Cl F N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 527.03 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H32ClFN4O3/c1-18(2)17-34(20-7-4-3-5-8-20)25-13-11-21(33-14-6-9-26(33)27(35)36)16-24(25)32-28(37)31-23-12-10-19(29)15-22(23)30/h6,9-16,18,20H,3-5,7-8,17H2,1-2H3,(H,35,36)(H2,31,32,37) |
| InChIKey | InChI | 1.06 | JYDXSLBOQXZAKM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3cccc3C(=O)O)C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3cccc3C(=O)O)C4CCCCC4 |
