General Property |
Molceule ID (DB) | EGIN0002469 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | N-(4-{4-amino-1-[(1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-7-chloro-1,3-benzoxazol-2-amine |
Formula | C29H31ClFN9O |
Mass | 576.068 |
Exact Mass | 575.2324126 |
Composition | C (60.46%), H (5.42%), Cl (6.15%), F (3.3%), N (21.88%), O (2.78%) |
Atom Count | 72 |
PI | 8.56 |
Smiles | [C@H]1(CC[C@H](CC1)N1CCN(CC1)C)n1c2ncnc(c2c(n1)c1ccc(c(c1)F)Nc1oc2c(n1)cccc2Cl)N |
InChI | 1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10
-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H
2,32,33,34)/t18-,19- |
InChIKey | SKBWQUPLWQUWPH-WGSAOQKQSA-N |
2D Structure | ![](./image/EGIN0002469.png) | Structure Backbone | ![](./frame/f_EGIN0002469.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 | 20817523 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | IGF1R | ALL |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | 26367172 |
ChEMBL Link | CHEMBL1256432 |