General Property |
Molceule ID (DB) | EGIN0002886 |
Inhibitor Class | Amino-salicylate |
Molecule Name in Refrence Article | I18 compound |
IUPAC Name | (3R)-3,5,5-trimethylhexyl 5-[(E)-[(2,5-dihydroxyphenyl)methylidene]amino]-2-hydroxybenzoate |
Formula | C23H29NO5 |
Mass | 399.4801 |
Exact Mass | 399.204573 |
Composition | C (69.15%), H (7.32%), N (3.51%), O (20.03%) |
Atom Count | 58 |
PI | 5.03 |
Smiles | c1(ccc(cc1/C=N/c1cc(c(cc1)O)C(=O)OCC[C@H](C)CC(C)(C)C)O)O |
InChI | 1S/C23H29NO5/c1-15(13-23(2,3)4)9-10-29-22(28)19-12-17(5-7-21(19)27)24-14-16-11-18(25)6-8-20(16)26/h5
-8,11-12,14-15,25-27H,9-10,13H2,1-4H3/b24-14+/t15-/m0/s1 |
InChIKey | KMMMMKNHOCRHEY-BGHCKBSUSA-N |
2D Structure | ![](./image/EGIN0002886.png) | Structure Backbone | ![](./frame/f_EGIN0002886.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 | 8145236 |
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 | 23239294 |
ChEMBL Link | CHEMBL355308 |