General Information of the Compound
| Compound ID |
CP0441126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-bromo-2-N-(4-chloro-2-methoxy-6-methylphenyl)-4-N-ethyl-3-methyl-4-N-(3,3,3-trifluoropropyl)benzimidazole-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23BrClF3N4O
|
||||||||||||||||||
| Molecular Weight |
519.793
|
||||||||||||||||||
| Canonical SMILES |
CCN(CCC(F)(F)F)c1ccc(Br)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23BrClF3N4O/c1-5-30(9-8-21(24,25)26)15-7-6-14(22)18-19(15)29(3)20(28-18)27-17-12(2)10-13(23)11-16(17)31-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIXHLWGIDHLDAG-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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