General Property |
Molceule ID (DB) | EGIN0000031 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | (2S)-2-[({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)(methyl)amino]propanamide |
Formula | C20H21ClFN5O2 |
Mass | 417.864 |
Exact Mass | 417.1367809 |
Composition | C (57.49%), H (5.07%), Cl (8.48%), F (4.55%), N (16.76%), O (7.66%) |
Atom Count | 50 |
PI | 9.91 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cccc(c1F)Cl)OC)CN([C@@H](C)C(=O)N)C |
InChI | 1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(1
5)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1 |
InChIKey | LIXBPKCPMMFCNP-NSHDSACASA-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 |
11596881
|
Drug Bank Link | - |
ChemSpider Link | 9771641 |
ChEMBL Link | CHEMBL207687 |