| General Property |
| Molceule ID (DB) | EGIN0004805 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 10 compound |
| IUPAC Name | 3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C30H35N9O |
| Mass | 537.6586 |
| Exact Mass | 537.2964568 |
| Composition | C (67.02%), H (6.56%), N (23.45%), O (2.98%) |
| Atom Count | 75 |
| PI | 10.78 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCNCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N |
| InChI | 1S/C30H35N9O/c1-40-25-5-3-2-4-19(25)17-26-35-23-11-6-20(16-24(23)36-26)28-27-29(31)33-18-34-30(27)39
(37-28)22-9-7-21(8-10-22)38-14-12-32-13-15-38/h2-6,11,16,18,21-22,32H,7-10,12-15,17H2,1H3,(H,35,36)(
H2,31,33,34)/t21-,22- |
| InChIKey | MWTCMQXTURNBFI-HZCBDIJESA-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 | 19217287 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGF-IR | |
| Pub Chem Link |
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|
| Drug Bank Link | - |
| ChemSpider Link | 23335504 |
| ChEMBL Link | CHEMBL455208 |
