| General Property |
| Molceule ID (DB) | EGIN0003607 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 24 compound |
| IUPAC Name | 3-{4-[(3-chlorophenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol |
| Formula | C17H12ClN5O |
| Mass | 337.763 |
| Exact Mass | 337.0730377 |
| Composition | C (60.45%), H (3.58%), Cl (10.5%), N (20.73%), O (4.74%) |
| Atom Count | 36 |
| PI | 6.94 |
| Smiles | c12c(ncnc2n[nH]c1c1cc(O)ccc1)Nc1cc(Cl)ccc1 |
| InChI | 1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,
(H2,19,20,21,22,23) |
| InChIKey | DVMBLTDKHALLLH-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 | PKC alpha | v-Abl | c-Src | CDK1 | ALL |
| Pub Chem Link |
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|
| Drug Bank Link | - |
| ChemSpider Link | 4485010 |
| ChEMBL Link | CHEMBL331906 |
