General Property |
Molceule ID (DB) | EGIN0001299 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 8i compound |
IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}-N-(4-methoxyphenyl)pyrimidine-5-carboxamide |
Formula | C25H22ClN5O3 |
Mass | 475.927 |
Exact Mass | 475.1411173 |
Composition | C (63.09%), H (4.66%), Cl (7.45%), N (14.72%), O (10.09%) |
Atom Count | 56 |
PI | 8.12 |
Smiles | c1(ncnc(c1C(=O)Nc1ccc(cc1)OC)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
InChI | 1S/C25H22ClN5O3/c1-33-19-10-7-17(8-11-19)31-25(32)22-23(27)28-15-29-24(22)30-18-9-12-21(20(26)13-18)
34-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,31,32)(H3,27,28,29,30) |
InChIKey | QGRYIZRZEGPOEO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001299.png) | Structure Backbone | ![](./frame/f_EGIN0001299.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 | 18678484 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | Aurora A | CDK1 | VEGFR2 | ALL |
Pub Chem Link |
25271518
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Drug Bank Link | - |
ChemSpider Link | 23331482 |
ChEMBL Link | CHEMBL472383 |