General Property |
Molceule ID (DB) | EGIN0000485 |
Inhibitor Class | Phenyl-urea |
Molecule Name in Refrence Article | 18a compound |
IUPAC Name | 3-butyl-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-1-phenylurea |
Formula | C20H26N2O2 |
Mass | 326.4326 |
Exact Mass | 326.1994281 |
Composition | C (73.59%), H (8.03%), N (8.58%), O (9.8%) |
Atom Count | 50 |
PI | 3.55 |
Smiles | c1(cc(cc(c1O)C)C)CN(C(=O)Nc1ccccc1)CCCC |
InChI | 1S/C20H26N2O2/c1-4-5-11-22(20(24)21-18-9-7-6-8-10-18)14-17-13-15(2)12-16(3)19(17)23/h6-10,12-13,23H,
4-5,11,14H2,1-3H3,(H,21,24) |
InChIKey | WFLDRBAFYGEDNV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000485.png) | Structure Backbone | ![](./frame/f_EGIN0000485.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 | 19914837 |
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 | 24645531 |
ChEMBL Link | CHEMBL590997 |