General Property |
Molceule ID (DB) | EGIN0002510 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6c compound |
IUPAC Name | (2E)-3-{3-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]phenyl}-N-hydroxyprop-2-enamide |
Formula | C30H22ClFN4O3 |
Mass | 540.972 |
Exact Mass | 540.1364465 |
Composition | C (66.61%), H (4.1%), Cl (6.55%), F (3.51%), N (10.36%), O (8.87%) |
Atom Count | 61 |
PI | 6.74 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)c1cccc(c1)/C=C/C(=O)NO |
InChI | 1S/C30H22ClFN4O3/c31-26-16-24(9-11-28(26)39-17-20-4-2-6-23(32)14-20)35-30-25-15-22(8-10-27(25)33-18-
34-30)21-5-1-3-19(13-21)7-12-29(37)36-38/h1-16,18,38H,17H2,(H,36,37)(H,33,34,35)/b12-7+ |
InChIKey | HRIQVCCRXNQUAH-KPKJPENVSA-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 | 21080629 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKA | PDGFR beta | InsR | Abl1 | PlK1 | CDK2 | ALL |
Pub Chem Link |
42596953
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Drug Bank Link | - |
ChemSpider Link | 26376659 |
ChEMBL Link | CHEMBL1630109 |