General Property |
Molceule ID (DB) | EGIN0004660 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 35 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(2S)-2-hydroxy-3-(methylamino)propoxy]-7-methoxyquinazolin-4-amine |
Formula | C19H20ClFN4O3 |
Mass | 406.839 |
Exact Mass | 406.1207964 |
Composition | C (56.09%), H (4.95%), Cl (8.71%), F (4.67%), N (13.77%), O (11.8%) |
Atom Count | 48 |
PI | 11.79 |
Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@H](CNC)O |
InChI | 1S/C19H20ClFN4O3/c1-22-8-12(26)9-28-18-6-13-16(7-17(18)27-2)23-10-24-19(13)25-11-3-4-15(21)14(20)5-1
1/h3-7,10,12,22,26H,8-9H2,1-2H3,(H,23,24,25)/t12-/m0/s1 |
InChIKey | WBXRECNDPTXGIZ-LBPRGKRZSA-N |
2D Structure | ![](./image/EGIN0004660.png) | Structure Backbone | ![](./frame/f_EGIN0004660.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 | 11459659 |
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 | 23150362 |
ChEMBL Link | - |