General Property |
Molceule ID (DB) | EGIN0001288 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidine-5-carbaldehyde |
Formula | C18H15ClN4O2 |
Mass | 354.79 |
Exact Mass | 354.0883535 |
Composition | C (60.94%), H (4.26%), Cl (9.99%), N (15.79%), O (9.02%) |
Atom Count | 40 |
PI | 10.05 |
Smiles | c1c(cccc1)COc1ccc(cc1Cl)Nc1c(c(ncn1)N)C=O |
InChI | 1S/C18H15ClN4O2/c19-15-8-13(23-18-14(9-24)17(20)21-11-22-18)6-7-16(15)25-10-12-4-2-1-3-5-12/h1-9,11H
,10H2,(H3,20,21,22,23) |
InChIKey | ZHAHSGZKQQBJOB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001288.png) | Structure Backbone | ![](./frame/f_EGIN0001288.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 | VEGF-R2 | ALL |
Pub Chem Link |
24777233
|
Drug Bank Link | - |
ChemSpider Link | 23331343 |
ChEMBL Link | CHEMBL461311 |