| General Property |
| Molceule ID (DB) | EGIN0003596 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 4-({4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}amino)phenol |
| Formula | C17H13ClN6O |
| Mass | 352.778 |
| Exact Mass | 352.0839368 |
| Composition | C (57.88%), H (3.71%), Cl (10.05%), N (23.82%), O (4.54%) |
| Atom Count | 38 |
| PI | 7.17 |
| Smiles | c1(c2c(ncnc2n[nH]1)Nc1cc(Cl)ccc1)Nc1ccc(cc1)O |
| InChI | 1S/C17H13ClN6O/c18-10-2-1-3-12(8-10)22-15-14-16(20-9-19-15)23-24-17(14)21-11-4-6-13(25)7-5-11/h1-9,2
5H,(H3,19,20,21,22,23,24) |
| InChIKey | DBDQLLPCPIODHI-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 | CDK1 | PKC alpha | v-Abl | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 4484999 |
| ChEMBL Link | CHEMBL122182 |
