| General Property |
| Molceule ID (DB) | EGIN0004767 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 14 compound |
| IUPAC Name | 3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-[4-(3-methoxypropyl)piperazin-1-yl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C34H43N9O2 |
| Mass | 609.7643 |
| Exact Mass | 609.3539717 |
| Composition | C (66.97%), H (7.11%), N (20.67%), O (5.25%) |
| Atom Count | 88 |
| PI | 10.47 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCN(CC1)CCCOC)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N |
| InChI | 1S/C34H43N9O2/c1-44-19-5-14-41-15-17-42(18-16-41)25-9-11-26(12-10-25)43-34-31(33(35)36-22-37-34)32(4
0-43)24-8-13-27-28(20-24)39-30(38-27)21-23-6-3-4-7-29(23)45-2/h3-4,6-8,13,20,22,25-26H,5,9-12,14-19,
21H2,1-2H3,(H,38,39)(H2,35,36,37)/t25-,26- |
| InChIKey | JHZWEYCWMPNVEC-DIVCQZSQSA-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 | 23335508 |
| ChEMBL Link | CHEMBL443098 |
