General Property |
Molceule ID (DB) | EGIN0001143 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 6c compound |
IUPAC Name | 3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea |
Formula | C26H35Cl2N7O |
Mass | 532.508 |
Exact Mass | 531.2280142 |
Composition | C (58.64%), H (6.62%), Cl (13.32%), N (18.41%), O (3%) |
Atom Count | 71 |
PI | 10.88 |
Smiles | c12c(nc(nc1)NCCCCN(CC)CC)nc(c(c2)c1c(cccc1Cl)Cl)NC(=O)NC(C)(C)C |
InChI | 1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32
-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) |
InChIKey | MKVMEJKNLUWFSQ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 9240345 | 9599227 | 11384237 | |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | FGFr | PDGFr | FGFr | ALL |
Pub Chem Link |
5328135
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Drug Bank Link | - |
ChemSpider Link | 4485302 |
ChEMBL Link | CHEMBL45827 |