| General Property |
| Molceule ID (DB) | EGIN0004796 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | 1-{4-[(1r,4r)-4-(4-amino-3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]piperazin-1-yl}ethan-1-one |
| Formula | C32H37N9O2 |
| Mass | 579.6953 |
| Exact Mass | 579.3070215 |
| Composition | C (66.3%), H (6.43%), N (21.75%), O (5.52%) |
| Atom Count | 80 |
| PI | 9.97 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCN(CC1)C(=O)C)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N |
| InChI | 1S/C32H37N9O2/c1-20(42)39-13-15-40(16-14-39)23-8-10-24(11-9-23)41-32-29(31(33)34-19-35-32)30(38-41)2
2-7-12-25-26(17-22)37-28(36-25)18-21-5-3-4-6-27(21)43-2/h3-7,12,17,19,23-24H,8-11,13-16,18H2,1-2H3,(
H,36,37)(H2,33,34,35)/t23-,24- |
| InChIKey | PXOJXTKZVIEYLV-RQNOJGIXSA-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 | 23335505 |
| ChEMBL Link | CHEMBL452717 |
