| General Property |
| Molceule ID (DB) | EGIN0004787 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | ethyl 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]piperazine-1-carboxylate |
| Formula | C33H39N9O3 |
| Mass | 609.7213 |
| Exact Mass | 609.3175862 |
| Composition | C (65.01%), H (6.45%), N (20.68%), O (7.87%) |
| Atom Count | 84 |
| PI | 9.87 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCN(CC1)C(=O)OCC)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N |
| InChI | 1S/C33H39N9O3/c1-3-45-33(43)41-16-14-40(15-17-41)23-9-11-24(12-10-23)42-32-29(31(34)35-20-36-32)30(3
9-42)22-8-13-25-26(18-22)38-28(37-25)19-21-6-4-5-7-27(21)44-2/h4-8,13,18,20,23-24H,3,9-12,14-17,19H2
,1-2H3,(H,37,38)(H2,34,35,36)/t23-,24- |
| InChIKey | IWSFWGQTDDJZPR-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 | 23335506 |
| ChEMBL Link | CHEMBL503638 |
