General Property |
Molceule ID (DB) | EGIN0000041 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]-4-methoxybutanamide |
Formula | C22H25ClFN5O3 |
Mass | 461.917 |
Exact Mass | 461.1629956 |
Composition | C (57.2%), H (5.46%), Cl (7.68%), F (4.11%), N (15.16%), O (10.39%) |
Atom Count | 57 |
PI | 9.97 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](CCOC)C(=O)N)C |
InChI | 1S/C22H25ClFN5O3/c1-29(18(21(25)30)7-8-31-2)11-13-9-14-17(10-19(13)32-3)26-12-27-22(14)28-16-6-4-5-1
5(23)20(16)24/h4-6,9-10,12,18H,7-8,11H2,1-3H3,(H2,25,30)(H,26,27,28)/t18-/m0/s1 |
InChIKey | KBHNVEWVXSQNJH-SFHVURJKSA-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 | 16516473 |
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 |
11691173
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Drug Bank Link | - |
ChemSpider Link | 9865900 |
ChEMBL Link | CHEMBL207445 |