General Property |
Molceule ID (DB) | EGIN0001079 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3g compound |
IUPAC Name | (7R)-N-(3-bromophenyl)-7-[2-(piperidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C23H25BrN4O2 |
Mass | 469.374 |
Exact Mass | 468.1160887 |
Composition | C (58.85%), H (5.37%), Br (17.02%), N (11.94%), O (6.82%) |
Atom Count | 55 |
PI | 12.53 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C23H25BrN4O2/c24-16-5-4-6-17(11-16)27-23-19-12-22-21(13-20(19)25-15-26-23)29-14-18(30-22)7-10-28-
8-2-1-3-9-28/h4-6,11-13,15,18H,1-3,7-10,14H2,(H,25,26,27)/t18-/m1/s1 |
InChIKey | QOMTZDSQRXRLJT-GOSISDBHSA-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 | 0 |
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 |
23260788
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |