General Property |
Molceule ID (DB) | EGIN0001843 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10a compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine |
Formula | C27H26ClFN4O2 |
Mass | 492.972 |
Exact Mass | 492.172832 |
Composition | C (65.78%), H (5.32%), Cl (7.19%), F (3.85%), N (11.37%), O (6.49%) |
Atom Count | 61 |
PI | 12.02 |
Smiles | c1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2cc(F)ccc2)cc1)Cl |
InChI | 1S/C27H26ClFN4O2/c1-33-12-10-21(11-13-33)35-25-7-3-6-23-26(25)27(31-17-30-23)32-20-8-9-24(22(28)15-2
0)34-16-18-4-2-5-19(29)14-18/h2-9,14-15,17,21H,10-13,16H2,1H3,(H,30,31,32) |
InChIKey | VQXONFAAUSCWAP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001843.png) | Structure Backbone | ![](./frame/f_EGIN0001843.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 | 16055332 |
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 |
10152238
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Drug Bank Link | - |
ChemSpider Link | 8327746 |
ChEMBL Link | CHEMBL197640 |