General Property |
Molceule ID (DB) | EGIN0003081 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7f compound |
IUPAC Name | 4-[(3-chloro-4-fluorophenyl)amino]-6-(octa-6,7-dien-1-yloxy)quinazolin-7-ol |
Formula | C22H21ClFN3O2 |
Mass | 413.872 |
Exact Mass | 413.1306328 |
Composition | C (63.84%), H (5.11%), Cl (8.57%), F (4.59%), N (10.15%), O (7.73%) |
Atom Count | 50 |
PI | 6.55 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)O)OCCCCCC=C=C |
InChI | 1S/C22H21ClFN3O2/c1-2-3-4-5-6-7-10-29-21-12-16-19(13-20(21)28)25-14-26-22(16)27-15-8-9-18(24)17(23)1
1-15/h3,8-9,11-14,28H,1,4-7,10H2,(H,25,26,27) |
InChIKey | KLWRCYQROACQNJ-UHFFFAOYSA-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 | 19969465 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 24645038 |
ChEMBL Link | CHEMBL590559 |