General Information of the Compound
| Compound ID |
CP0052228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Formula |
C15H11Br2N3O3
|
||||||||||||||||||
| Molecular Weight |
441.079
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11Br2N3O3/c1-23-12-5-9(16)13(17)8(14(12)21)6-18-7-2-3-10-11(4-7)20-15(22)19-10/h2-6,21H,1H3,(H2,19,20,22)/b18-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFGPRLKBEQJZAK-NGYBGAFCSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00859, Protein-tyrosine kinase 6
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01237, Tyrosine-protein kinase Fyn