General Property |
Molceule ID (DB) | EGIN0005133 |
Inhibitor Class | Pyrimido-Pyrimidine |
Molecule Name in Refrence Article | 2m |
IUPAC Name | 3â€phenylâ€7â€(phenylamino)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 | C25H24N6O2 |
Mass | 440.4971 |
Exact Mass | 440.196074042 |
Composition | C (68.17%), H (5.49%), N (19.08%), O (7.26%) |
Atom Count | 57 |
PI | 7.17 |
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([H])C([H])=C2[H])C1([H])[H] |
InChI | 1S/C25H24N6O2/c1-2-22(32)29-14-13-21(17-29)31-23-18(16-30(25(31)33)20-11-7-4-8-12-20)15-26-24(28-23)
27-19-9-5-3-6-10-19/h2-12,15,21H,1,13-14,16-17H2,(H,26,27,28)/t21-/m0/s1 |
InChIKey | JKMKVANXOAOXAM-NRFANRHFSA-N |
2D Structure | ![](./image/EGIN0005133.png) | Structure Backbone | ![](./frame/f_EGIN0005133.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 |
72712888
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |