General Property |
Molceule ID (DB) | EGIN0001077 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3e compound |
IUPAC Name | (7R)-N-(3-bromophenyl)-7-[2-(4-methylpiperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C23H26BrN5O2 |
Mass | 484.389 |
Exact Mass | 483.1269877 |
Composition | C (57.03%), H (5.41%), Br (16.5%), N (14.46%), O (6.61%) |
Atom Count | 57 |
PI | 12.23 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCN(CC1)C)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C23H26BrN5O2/c1-28-7-9-29(10-8-28)6-5-18-14-30-21-13-20-19(12-22(21)31-18)23(26-15-25-20)27-17-4-
2-3-16(24)11-17/h2-4,11-13,15,18H,5-10,14H2,1H3,(H,25,26,27)/t18-/m1/s1 |
InChIKey | DNBBBPPPPRFSPA-GOSISDBHSA-N |
2D Structure | ![](./image/EGIN0001077.png) | Structure Backbone | ![](./frame/f_EGIN0001077.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 | 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 | - |