General Property |
Molceule ID (DB) | EGIN0001078 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3f compound |
IUPAC Name | (7R)-N-(3-bromophenyl)-7-[2-(morpholin-4-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C22H23BrN4O3 |
Mass | 471.347 |
Exact Mass | 470.0953533 |
Composition | C (56.06%), H (4.92%), Br (16.95%), N (11.89%), O (10.18%) |
Atom Count | 53 |
PI | 11.45 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCOCC1)ncnc2Nc1cc(ccc1)Br |
InChI | 1S/C22H23BrN4O3/c23-15-2-1-3-16(10-15)26-22-18-11-21-20(12-19(18)24-14-25-22)29-13-17(30-21)4-5-27-6
-8-28-9-7-27/h1-3,10-12,14,17H,4-9,13H2,(H,24,25,26)/t17-/m1/s1 |
InChIKey | YYMZTVFYCIJJHO-QGZVFWFLSA-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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |