| General Property |
| Molceule ID (DB) | EGIN0002468 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 23 compound |
| IUPAC Name | N-[4-(4-amino-1-{1-[1-(3-methoxypropyl)piperidin-4-yl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-7-chloro-1,3-benzoxazol-2-amine |
| Formula | C32H38ClN9O2 |
| Mass | 616.156 |
| Exact Mass | 615.2836992 |
| Composition | C (62.38%), H (6.22%), Cl (5.75%), N (20.46%), O (5.19%) |
| Atom Count | 82 |
| PI | 10.64 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CCN(CC1)C1CCN(CC1)CCCOC)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C32H38ClN9O2/c1-43-19-3-14-40-15-10-23(11-16-40)41-17-12-24(13-18-41)42-31-27(30(34)35-20-36-31)2
8(39-42)21-6-8-22(9-7-21)37-32-38-26-5-2-4-25(33)29(26)44-32/h2,4-9,20,23-24H,3,10-19H2,1H3,(H,37,38
)(H2,34,35,36) |
| InChIKey | JCKPXXCMARLTQI-UHFFFAOYSA-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 | 20817523 |
| 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 | 26366699 |
| ChEMBL Link | CHEMBL1256431 |
