General Property |
Molceule ID (DB) | EGIN0005130 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 2j |
IUPAC Name | 3â€cyclopentylâ€7â€{[2â€methoxyâ€4â€(4â€methylpiperazinâ€1â€yl)phenyl]amino}â€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 | C30H40N8O3 |
Mass | 560.6904 |
Exact Mass | 560.322337186 |
Composition | C (64.26%), H (7.19%), N (19.98%), O (8.56%) |
Atom Count | 81 |
PI | 10.43 |
Smiles | [H]C([H])=C([H])C(=O)N1C([H])([H])C([H])([H])[C@]([H])(N2C(=O)N(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])C2([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])C1([H])[H] |
InChI | 1S/C30H40N8O3/c1-4-27(39)36-12-11-24(20-36)38-28-21(19-37(30(38)40)22-7-5-6-8-22)18-31-29(33-28)32-2
5-10-9-23(17-26(25)41-3)35-15-13-34(2)14-16-35/h4,9-10,17-18,22,24H,1,5-8,11-16,19-20H2,2-3H3,(H,31,
32,33)/t24-/m0/s1 |
InChIKey | OREFCTWERPKHHA-DEOSSOPVSA-N |
2D Structure | ![](./image/EGIN0005130.png) | Structure Backbone | ![](./frame/f_EGIN0005130.png) |
|
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 |
72712713
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |