General Property |
Molceule ID (DB) | EGIN0004956 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 35b |
IUPAC Name | N-(3-chlorophenyl)-6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine |
Formula | C26H26ClN5O2 |
Mass | 475.97 |
Exact Mass | 475.1775028 |
Composition | C (65.61%), H (5.51%), Cl (7.45%), N (14.71%), O (6.72%) |
Atom Count | 60 |
PI | 11.12 |
Smiles | c12cc(c(cc1nc(nc2Nc1cc(ccc1)Cl)N1CCN(CC1)c1ccccc1)OC)OC |
InChI | 1S/C26H26ClN5O2/c1-33-23-16-21-22(17-24(23)34-2)29-26(30-25(21)28-19-8-6-7-18(27)15-19)32-13-11-31(1
2-14-32)20-9-4-3-5-10-20/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,30) |
InChIKey | ISUCGPXEDXWPBD-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004956.png) | Structure Backbone | ![](./frame/f_EGIN0004956.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 | 8879541 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
5328833
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Drug Bank Link | - |
ChemSpider Link | 4485995 |
ChEMBL Link | - |