General Property |
Molceule ID (DB) | EGIN0000100 |
Inhibitor Class | Benzo-dioxane |
Molecule Name in Refrence Article | 18a compound |
IUPAC Name | 2-[(7R)-4-[(3-chlorophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol |
Formula | C18H16ClN3O3 |
Mass | 357.791 |
Exact Mass | 357.0880191 |
Composition | C (60.42%), H (4.51%), Cl (9.91%), N (11.74%), O (13.42%) |
Atom Count | 41 |
PI | 10.02 |
Smiles | OCC[C@@H]1COc2c(O1)cc1c(Nc3cc(Cl)ccc3)ncnc1c2 |
InChI | 1S/C18H16ClN3O3/c19-11-2-1-3-12(6-11)22-18-14-7-17-16(8-15(14)20-10-21-18)24-9-13(25-17)4-5-23/h1-3,
6-8,10,13,23H,4-5,9H2,(H,20,21,22)/t13-/m1/s1 |
InChIKey | ZKSLWCIQJMLFPG-CYBMUJFWSA-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 | 21732342 |
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 | - |