General Property |
Molceule ID (DB) | EGIN0000480 |
Inhibitor Class | Phenyl-urea |
Molecule Name in Refrence Article | 13a compound |
IUPAC Name | 3-butyl-3-[(3-chloro-2-hydroxyphenyl)methyl]-1-phenylurea |
Formula | C18H21ClN2O2 |
Mass | 332.825 |
Exact Mass | 332.1291556 |
Composition | C (64.96%), H (6.36%), Cl (10.65%), N (8.42%), O (9.61%) |
Atom Count | 44 |
PI | 2.43 |
Smiles | c1(cccc(c1O)Cl)CN(C(=O)Nc1ccccc1)CCCC |
InChI | 1S/C18H21ClN2O2/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-
13H2,1H3,(H,20,23) |
InChIKey | UGSKHSZUOFAHGH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000480.png) | Structure Backbone | ![](./frame/f_EGIN0000480.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 | 24645727 |
ChEMBL Link | CHEMBL591706 |