General Property |
Molceule ID (DB) | EGIN0004813 |
Inhibitor Class | Pyrazolo-pyrimidine |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C30H34N8O2 |
Mass | 538.6434 |
Exact Mass | 538.2804724 |
Composition | C (66.89%), H (6.36%), N (20.8%), O (5.94%) |
Atom Count | 74 |
PI | 9.95 |
Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc2c(cc1)nc([nH]2)Cc1ccccc1OC)N |
InChI | 1S/C30H34N8O2/c1-39-25-5-3-2-4-19(25)17-26-34-23-11-6-20(16-24(23)35-26)28-27-29(31)32-18-33-30(27)3
8(36-28)22-9-7-21(8-10-22)37-12-14-40-15-13-37/h2-6,11,16,18,21-22H,7-10,12-15,17H2,1H3,(H,34,35)(H2
,31,32,33)/t21-,22- |
InChIKey | YETDQFJRLHRQJD-HZCBDIJESA-N |
2D Structure | ![](./image/EGIN0004813.png) | Structure Backbone | ![](./frame/f_EGIN0004813.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 | 23306115 |
ChEMBL Link | CHEMBL437584 |