General Property |
Molceule ID (DB) | EGIN0001999 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | (2R)-N,N-dimethyl-2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)quinazolin-5-yl]oxy}propanamide |
Formula | C26H27N5O3 |
Mass | 457.5243 |
Exact Mass | 457.2113898 |
Composition | C (68.25%), H (5.95%), N (15.31%), O (10.49%) |
Atom Count | 61 |
PI | 10.44 |
Smiles | c12c(cccc1ncnc2Nc1cc(c(cc1)Oc1cnc(cc1)C)C)O[C@H](C)C(=O)N(C)C |
InChI | InChI=1S/C26H27N5O3/c1-16-13-19(10-12-22(16)34-20-11-9-17(2)27-14-20)30-25-24-21(28-15-29-25)7-6-8-2
3(24)33-18(3)26(32)31(4)5/h6-15,18H,1-5H3,(H,28,29,30)/t18-/m1/s1 |
InChIKey | InChIKey=XNXUDGXKTVZKLB-GOSISDBHSA-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 | 18313293 |
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 |
11712237
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Drug Bank Link | - |
ChemSpider Link | 9886959 |
ChEMBL Link | CHEMBL256362 |