| General Property |
| Molceule ID (DB) | EGIN0003608 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 25 compound |
| IUPAC Name | N-(3-chlorophenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C18H14ClN5O |
| Mass | 351.79 |
| Exact Mass | 351.0886878 |
| Composition | C (61.46%), H (4.01%), Cl (10.08%), N (19.91%), O (4.55%) |
| Atom Count | 39 |
| PI | 8.09 |
| Smiles | c12c(ncnc2n[nH]c1c1ccc(cc1)OC)Nc1cc(Cl)ccc1 |
| InChI | 1S/C18H14ClN5O/c1-25-14-7-5-11(6-8-14)16-15-17(20-10-21-18(15)24-23-16)22-13-4-2-3-12(19)9-13/h2-10H
,1H3,(H2,20,21,22,23,24) |
| InChIKey | CNEAVADKWYPXBR-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 | 9357527 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Src | PKC alpha | CDK1 | v-Abl | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4485011 |
| ChEMBL Link | CHEMBL332971 |
