General Property |
Molceule ID (DB) | EGIN0004839 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 3-(2-benzyl-1H-1,3-benzodiazol-6-yl)-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C29H32N8O |
Mass | 508.6174 |
Exact Mass | 508.2699077 |
Composition | C (68.48%), H (6.34%), N (22.03%), O (3.15%) |
Atom Count | 70 |
PI | 9.98 |
Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1)N |
InChI | 1S/C29H32N8O/c30-28-26-27(20-6-11-23-24(17-20)34-25(33-23)16-19-4-2-1-3-5-19)35-37(29(26)32-18-31-28
)22-9-7-21(8-10-22)36-12-14-38-15-13-36/h1-6,11,17-18,21-22H,7-10,12-16H2,(H,33,34)(H2,30,31,32)/t21
-,22- |
InChIKey | MSLPPMUTXCBVLE-HZCBDIJESA-N |
2D Structure | ![](./image/EGIN0004839.png) | Structure Backbone | ![](./frame/f_EGIN0004839.png) |
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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 | 23306101 |
ChEMBL Link | CHEMBL249496 |