General Property |
Molceule ID (DB) | EGIN0004288 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 6-({4-[(3-ethynylphenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyhexanamide |
Formula | C23H24N4O4 |
Mass | 420.4611 |
Exact Mass | 420.1797553 |
Composition | C (65.7%), H (5.75%), N (13.33%), O (15.22%) |
Atom Count | 55 |
PI | 6.74 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)C#C)OC)OCCCCCC(=O)NO |
InChI | 1S/C23H24N4O4/c1-3-16-8-7-9-17(12-16)26-23-18-13-21(20(30-2)14-19(18)24-15-25-23)31-11-6-4-5-10-22(2
8)27-29/h1,7-9,12-15,29H,4-6,10-11H2,2H3,(H,27,28)(H,24,25,26) |
InChIKey | XFDYLGGJRSOHKI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004288.png) | Structure Backbone | ![](./frame/f_EGIN0004288.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 | 24650794 |
ChEMBL Link | CHEMBL598164 |