General Property |
Molceule ID (DB) | EGIN0004293 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 11 compound |
IUPAC Name | 7-({4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}oxy)-N-hydroxyheptanamide |
Formula | C21H22ClFN4O3 |
Mass | 432.876 |
Exact Mass | 432.1364465 |
Composition | C (58.27%), H (5.12%), Cl (8.19%), F (4.39%), N (12.94%), O (11.09%) |
Atom Count | 52 |
PI | 6.49 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OCCCCCCC(=O)NO |
InChI | 1S/C21H22ClFN4O3/c22-17-11-14(6-8-18(17)23)26-21-16-12-15(7-9-19(16)24-13-25-21)30-10-4-2-1-3-5-20(2
8)27-29/h6-9,11-13,29H,1-5,10H2,(H,27,28)(H,24,25,26) |
InChIKey | DGORACVWOLFYBN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004293.png) | Structure Backbone | ![](./frame/f_EGIN0004293.png) |
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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 | 20143778 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | HDAC | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24653428 |
ChEMBL Link | CHEMBL604094 |