General Property |
Molceule ID (DB) | EGIN0004330 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 12 compound |
IUPAC Name | 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[(1r,4r)-4-[1-(3-methoxypropyl)piperidin-4-yl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
Formula | C34H41ClN8O |
Mass | 613.195 |
Exact Mass | 612.3091857 |
Composition | C (66.6%), H (6.74%), Cl (5.78%), N (18.27%), O (2.61%) |
Atom Count | 85 |
PI | 10.77 |
Smiles | c1nc2c(c(n1)N)c(nn2[C@H]1CC[C@@H](CC1)C1CCN(CC1)CCCOC)c1cc2c(cc1)nc([nH]2)Cc1c(cccc1)Cl |
InChI | 1S/C34H41ClN8O/c1-44-18-4-15-42-16-13-23(14-17-42)22-7-10-26(11-8-22)43-34-31(33(36)37-21-38-34)32(4
1-43)25-9-12-28-29(19-25)40-30(39-28)20-24-5-2-3-6-27(24)35/h2-3,5-6,9,12,19,21-23,26H,4,7-8,10-11,1
3-18,20H2,1H3,(H,39,40)(H2,36,37,38)/t22-,26- |
InChIKey | ZRTDGPKHIJCQNA-PGWJBFNOSA-N |
2D Structure | | Structure Backbone | |
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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 | 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 | 24689648 |
ChEMBL Link | CHEMBL1077269 |