General Property |
Molceule ID (DB) | EGIN0003609 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 26 compound |
IUPAC Name | 4-{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 | 6.96 |
Smiles | c12c(ncnc2n[nH]c1c1ccc(cc1)O)Nc1cc(Cl)ccc1 |
InChI | 1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-16-14-15(10-4-6-13(24)7-5-10)22-23-17(14)20-9-19-16/h1-9,24H,
(H2,19,20,21,22,23) |
InChIKey | DTGDQRLXHBUCRM-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 9357527 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC alpha | v-Abl | CDK1 | c-Src | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 13796219 |
ChEMBL Link | CHEMBL118130 |