General Property |
Molceule ID (DB) | EGIN0001074 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3b compound |
IUPAC Name | (7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(morpholin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C22H22BrFN4O3 |
Mass | 489.337 |
Exact Mass | 488.0859314 |
Composition | C (54%), H (4.53%), Br (16.33%), F (3.88%), N (11.45%), O (9.81%) |
Atom Count | 53 |
PI | 10.33 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCOCC1)ncnc2Nc1c(cc(cc1)Br)F |
InChI | 1S/C22H22BrFN4O3/c23-14-1-2-18(17(24)9-14)27-22-16-10-21-20(11-19(16)25-13-26-22)30-12-15(31-21)3-4-
28-5-7-29-8-6-28/h1-2,9-11,13,15H,3-8,12H2,(H,25,26,27)/t15-/m1/s1 |
InChIKey | CARHZFCNDKJJDB-OAHLLOKOSA-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 |
10696457
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |