| General Property |
| Molceule ID (DB) | EGIN0004331 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | 3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-(1-methylpiperidin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Formula | C32H38N8O |
| Mass | 550.6971 |
| Exact Mass | 550.3168579 |
| Composition | C (69.79%), H (6.96%), N (20.35%), O (2.91%) |
| Atom Count | 79 |
| PI | 10.53 |
| Smiles | c1nc2c(c(n1)N)c(nn2[C@H]1CC[C@@H](CC1)C1CCN(CC1)C)c1cc2c(cc1)nc(Cc1c(cccc1)OC)[nH]2 |
| InChI | 1S/C32H38N8O/c1-39-15-13-21(14-16-39)20-7-10-24(11-8-20)40-32-29(31(33)34-19-35-32)30(38-40)23-9-12-
25-26(17-23)37-28(36-25)18-22-5-3-4-6-27(22)41-2/h3-6,9,12,17,19-21,24H,7-8,10-11,13-16,18H2,1-2H3,(
H,36,37)(H2,33,34,35)/t20-,24- |
| InChIKey | OBDZFXLPCBGQSA-LSNLESRRSA-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 | 20166671 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGF1R | |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 24664801 |
| ChEMBL Link | CHEMBL1077305 |
