General Property |
Molceule ID (DB) | EGIN0000481 |
Inhibitor Class | Phenyl-urea |
Molecule Name in Refrence Article | 14a compound |
IUPAC Name | 3-[(3-bromo-2-hydroxyphenyl)methyl]-3-butyl-1-phenylurea |
Formula | C18H21BrN2O2 |
Mass | 377.276 |
Exact Mass | 376.0786406 |
Composition | C (57.3%), H (5.61%), Br (21.18%), N (7.43%), O (8.48%) |
Atom Count | 44 |
PI | 2.51 |
Smiles | c1(cccc(c1O)Br)CN(C(=O)Nc1ccccc1)CCCC |
InChI | 1S/C18H21BrN2O2/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 | PAZHTUBWGGMCLX-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000481.png) | Structure Backbone | ![](./frame/f_EGIN0000481.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 | 24644252 |
ChEMBL Link | CHEMBL590962 |