General Property |
Molceule ID (DB) | EGIN0001089 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3q compound |
IUPAC Name | (7R)-N-(3-chloro-4-fluorophenyl)-7-[2-(piperidin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
Formula | C23H24ClFN4O2 |
Mass | 442.914 |
Exact Mass | 442.1571819 |
Composition | C (62.37%), H (5.46%), Cl (8%), F (4.29%), N (12.65%), O (7.22%) |
Atom Count | 55 |
PI | 12.56 |
Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCCCC1)ncnc2Nc1cc(c(cc1)F)Cl |
InChI | 1S/C23H24ClFN4O2/c24-18-10-15(4-5-19(18)25)28-23-17-11-22-21(12-20(17)26-14-27-23)30-13-16(31-22)6-9
-29-7-2-1-3-8-29/h4-5,10-12,14,16H,1-3,6-9,13H2,(H,26,27,28)/t16-/m1/s1 |
InChIKey | FPPBXULFHJDOMA-MRXNPFEDSA-N |
2D Structure | ![](./image/EGIN0001089.png) | Structure Backbone | ![](./frame/f_EGIN0001089.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 |
14902286
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |