General Property |
Molceule ID (DB) | EGIN0000484 |
Inhibitor Class | Phenyl-urea |
Molecule Name in Refrence Article | 17a compound |
IUPAC Name | 3-butyl-3-[(3,5-dibromo-2-hydroxyphenyl)methyl]-1-phenylurea |
Formula | C18H20Br2N2O2 |
Mass | 456.172 |
Exact Mass | 453.9891532 |
Composition | C (47.39%), H (4.42%), Br (35.03%), N (6.14%), O (7.01%) |
Atom Count | 44 |
PI | 2.29 |
Smiles | c1(cc(cc(c1O)Br)Br)CN(C(=O)Nc1ccccc1)CCCC |
InChI | 1S/C18H20Br2N2O2/c1-2-3-9-22(18(24)21-15-7-5-4-6-8-15)12-13-10-14(19)11-16(20)17(13)23/h4-8,10-11,23
H,2-3,9,12H2,1H3,(H,21,24) |
InChIKey | BKAKEQNATCRPPB-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000484.png) | Structure Backbone | ![](./frame/f_EGIN0000484.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 | 24645686 |
ChEMBL Link | CHEMBL590759 |