General Property |
Molceule ID (DB) | EGIN0004557 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 2k |
IUPAC Name | N-[3-(7-{[2-ethoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide |
Formula | C29H34N8O3 |
Mass | 542.6321 |
Exact Mass | 542.275387 |
Composition | C (64.19%), H (6.32%), N (20.65%), O (8.85%) |
Atom Count | 74 |
PI | 10.38 |
Smiles | c1(ccc(c(c1)OCC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C |
InChI | 1S/C29H34N8O3/c1-5-26(38)31-21-8-7-9-23(16-21)37-27-20(19-35(4)29(37)39)18-30-28(33-27)32-24-11-10-2
2(17-25(24)40-6-2)36-14-12-34(3)13-15-36/h5,7-11,16-18H,1,6,12-15,19H2,2-4H3,(H,31,38)(H,30,32,33) |
InChIKey | UCJOIOBLGZJVCC-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004557.png) | Structure Backbone | ![](./frame/f_EGIN0004557.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 |
57341296
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Drug Bank Link | - |
ChemSpider Link | 28528413 |
ChEMBL Link | - |