General Property |
Molceule ID (DB) | EGIN0003592 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 3-N,4-N-bis(3-chlorophenyl)-7H-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
Formula | C17H12Cl2N6 |
Mass | 371.223 |
Exact Mass | 370.0500498 |
Composition | C (55%), H (3.26%), Cl (19.1%), N (22.64%) |
Atom Count | 37 |
PI | 4.55 |
Smiles | c1(c2c(nc[nH]c2nn1)Nc1cc(Cl)ccc1)Nc1cc(Cl)ccc1 |
InChI | 1S/C17H12Cl2N6/c18-10-3-1-5-12(7-10)22-15-14-16(21-9-20-15)24-25-17(14)23-13-6-2-4-11(19)8-13/h1-9H,
(H3,20,21,22,23,24,25) |
InChIKey | URVRJEIGGRSCLI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003592.png) | Structure Backbone | ![](./frame/f_EGIN0003592.png) |
|
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 | v-Abl | c-Src | PKC alpha | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 4484995 |
ChEMBL Link | CHEMBL333038 |