General Property |
Molceule ID (DB) | EGIN0001091 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18b compound |
IUPAC Name | 2-[(7R)-4-[(4-bromo-2-fluorophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol |
Formula | C18H15BrFN3O3 |
Mass | 420.232 |
Exact Mass | 419.0280822 |
Composition | C (51.45%), H (3.6%), Br (19.01%), F (4.52%), N (10%), O (11.42%) |
Atom Count | 41 |
PI | 9.1 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCO)ncnc2Nc1c(cc(cc1)Br)F |
InChI | 1S/C18H15BrFN3O3/c19-10-1-2-14(13(20)5-10)23-18-12-6-17-16(7-15(12)21-9-22-18)25-8-11(26-17)3-4-24/h
1-2,5-7,9,11,24H,3-4,8H2,(H,21,22,23)/t11-/m1/s1 |
InChIKey | SZYCAYXFUAOARN-LLVKDONJSA-N |
2D Structure | ![](./image/EGIN0001091.png) | Structure Backbone | ![](./frame/f_EGIN0001091.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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |