| General Property |
| Molceule ID (DB) | EGIN0004556 |
| Inhibitor Class | Pyrimido-Pyrimidine |
| Molecule Name in Refrence Article | 2l |
| IUPAC Name | N-[3-(3-methyl-7-{[4-(4-methylpiperazin-1-yl)-2-propoxyphenyl]amino}-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
| Formula | C30H36N8O3 |
| Mass | 556.6586 |
| Exact Mass | 556.2910371 |
| Composition | C (64.73%), H (6.52%), N (20.13%), O (8.62%) |
| Atom Count | 77 |
| PI | 10.38 |
| Smiles | c1(ccc(c(c1)OCCC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
| InChI | 1S/C30H36N8O3/c1-5-16-41-26-18-23(37-14-12-35(3)13-15-37)10-11-25(26)33-29-31-19-21-20-36(4)30(40)38
(28(21)34-29)24-9-7-8-22(17-24)32-27(39)6-2/h6-11,17-19H,2,5,12-16,20H2,1,3-4H3,(H,32,39)(H,31,33,34
) |
| InChIKey | KLJPSKHFOCZUNT-UHFFFAOYSA-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 | 22339342 |
| 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 | - |
