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 | ![](./image/EGIN0004556.png) | Structure Backbone | ![](./frame/f_EGIN0004556.png) |
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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 | 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 | - |