General Property |
Molceule ID (DB) | EGIN0003602 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | 3-N-benzyl-4-N-(3-chlorophenyl)-5H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
Formula | C18H15ClN6 |
Mass | 350.805 |
Exact Mass | 350.1046722 |
Composition | C (61.63%), H (4.31%), Cl (10.11%), N (23.96%) |
Atom Count | 40 |
PI | 3.36 |
Smiles | c1(c2c(nnc2nc[nH]1)NCc1ccccc1)Nc1cc(Cl)ccc1 |
InChI | 1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11
H,10H2,(H3,20,21,22,23,24,25) |
InChIKey | BEXPELAOVIOQHQ-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 | c-Src | PKC alpha | v-Abl | CDK1 | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 4485005 |
ChEMBL Link | CHEMBL121796 |