| General Property |
| Molceule ID (DB) | EGIN0000229 |
| Inhibitor Class | Pyrido-pyrimidine |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-(3-{[(1S)-3-hydroxy-1-methyl-4-[(morpholin-4-yl)amino]-2-oxocyclopent-3-en-1-yl]oxy}propoxy)pyrido[3,2-d]pyrimidin-6-yl}prop-2-enamide |
| Formula | C29H31ClFN7O6 |
| Mass | 628.051 |
| Exact Mass | 627.2008377 |
| Composition | C (55.46%), H (4.98%), Cl (5.64%), F (3.02%), N (15.61%), O (15.28%) |
| Atom Count | 75 |
| PI | 6.7 |
| Smiles | O=C(Nc1nc2c(cc1OCCCO[C@@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1ccc(c(c1)Cl)F)C=C |
| InChI | 1S/C29H31ClFN7O6/c1-3-23(39)35-27-22(14-20-24(36-27)28(33-16-32-20)34-17-5-6-19(31)18(30)13-17)43-9-
4-10-44-29(2)15-21(25(40)26(29)41)37-38-7-11-42-12-8-38/h3,5-6,13-14,16,37,40H,1,4,7-12,15H2,2H3,(H,
32,33,34)(H,35,36,39)/t29-/m0/s1 |
| InChIKey | GREXLLYROZHWJH-LJAQVGFWSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 10753475 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | CHEMBL31656 |
