G0K
Summary
| Name: | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
| Formula: | C27 H19 F3 N6 O |
| Formal charge: | 0 |
| Formula weight: | 500.475 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-methyl-3-[(2-pyridin-3-ylpyrido[2,3-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H19F3N6O/c1-16-9-10-17(26(37)33-20-7-2-6-19(14-20)27(28,29)30)13-22(16)34-25-21-8-4-12-32-24(21)35-23(36-25)18-5-3-11-31-15-18/h2-15H,1H3,(H,33,37)(H,32,34,35,36) |
| InChIKey | InChI | 1.03 | SNMQSFPKJXPDDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc3ncccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1Nc2nc(nc3ncccc23)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1Nc2c3cccnc3nc(n2)c4cccnc4)C(=O)Nc5cccc(c5)C(F)(F)F |
