| General Property |
| Molceule ID (DB) | EGIN0001289 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 4-amino-6-{[4-(benzyloxy)-3-chlorophenyl]amino}pyrimidine-5-carboxylic acid |
| Formula | C18H15ClN4O3 |
| Mass | 370.79 |
| Exact Mass | 370.0832681 |
| Composition | C (58.31%), H (4.08%), Cl (9.56%), N (15.11%), O (12.94%) |
| Atom Count | 41 |
| PI | 4.47 |
| Smiles | c1(ncnc(c1C(=O)O)N)Nc1ccc(c(c1)Cl)OCc1ccccc1 |
| InChI | 1S/C18H15ClN4O3/c19-13-8-12(23-17-15(18(24)25)16(20)21-10-22-17)6-7-14(13)26-9-11-4-2-1-3-5-11/h1-8,
10H,9H2,(H,24,25)(H3,20,21,22,23) |
| InChIKey | NBFUBQZWLQRDFS-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | VEGF-R2 | Aurora-A | CDK1 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23331344 |
| ChEMBL Link | CHEMBL512391 |
