| General Property |
| Molceule ID (DB) | EGIN0004829 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-3-[2-(thiophen-2-ylmethyl)-1H-1,3-benzodiazol-6-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C27H30N8OS |
| Mass | 514.645 |
| Exact Mass | 514.2263283 |
| Composition | C (63.01%), H (5.88%), N (21.77%), O (3.11%), S (6.23%) |
| Atom Count | 67 |
| PI | 9.9 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1sccc1)N |
| InChI | 1S/C27H30N8OS/c28-26-24-25(17-3-8-21-22(14-17)32-23(31-21)15-20-2-1-13-37-20)33-35(27(24)30-16-29-26
)19-6-4-18(5-7-19)34-9-11-36-12-10-34/h1-3,8,13-14,16,18-19H,4-7,9-12,15H2,(H,31,32)(H2,28,29,30)/t1
8-,19- |
| InChIKey | FNIODIAGYLWZRY-WGSAOQKQSA-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 | 23306150 |
| ChEMBL Link | CHEMBL248877 |
