General Property |
Molceule ID (DB) | EGIN0005132 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 2l |
IUPAC Name | 7â€{[2â€methoxyâ€4â€(4â€methylpiperazinâ€1â€yl)phenyl]amino}â€3â€phenylâ€1â€[(3S)â€1â€(propâ€2â€enoyl)pyrrolidinâ€3â€yl]â€1H,2H,3H,4Hâ€pyrimido[4,5â€d][1,3]diazinâ€2â€one |
Formula | C31H36N8O3 |
Mass | 568.6693 |
Exact Mass | 568.291037058 |
Composition | C (65.47%), H (6.38%), N (19.7%), O (8.44%) |
Atom Count | 78 |
PI | 10.42 |
Smiles | [H]C([H])=C([H])C(=O)N1C([H])([H])C([H])([H])[C@]([H])(N2C(=O)N(C3=C([H])C([H])=C([H])C([H])=C3[H])C([H])([H])C3=C2N=C(N=C3[H])N([H])C2=C([H])C([H])=C(C([H])=C2OC([H])([H])[H])N2C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C2([H])[H])C1([H])[H] |
InChI | 1S/C31H36N8O3/c1-4-28(40)37-13-12-25(21-37)39-29-22(20-38(31(39)41)23-8-6-5-7-9-23)19-32-30(34-29)33
-26-11-10-24(18-27(26)42-3)36-16-14-35(2)15-17-36/h4-11,18-19,25H,1,12-17,20-21H2,2-3H3,(H,32,33,34)
/t25-/m0/s1 |
InChIKey | ZIETVRSYZYJSDW-VWLOTQADSA-N |
2D Structure | ![](./image/EGIN0005132.png) | Structure Backbone | ![](./frame/f_EGIN0005132.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 | 24124898 |
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 |
72712887
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |