General Property |
Molceule ID (DB) | EGIN0004283 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 1 compound |
IUPAC Name | 3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxypropanamide |
Formula | C18H16ClFN4O4 |
Mass | 406.795 |
Exact Mass | 406.0844109 |
Composition | C (53.15%), H (3.96%), Cl (8.72%), F (4.67%), N (13.77%), O (15.73%) |
Atom Count | 44 |
PI | 6.73 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCC(=O)NO |
InChI | 1S/C18H16ClFN4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-10-2-3-13(20)12(19)6-1
0/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23) |
InChIKey | ZAFWWWJOUAFSJP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004283.png) | Structure Backbone | ![](./frame/f_EGIN0004283.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 | 24649980 |
ChEMBL Link | CHEMBL597551 |