General Information of the Compound
| Compound ID |
CP0416725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-bromo-1-[[6-(4-chloro-2-fluorophenyl)pyridin-3-yl]methyl]benzotriazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H11BrClFN4
|
||||||||||||||||||
| Molecular Weight |
417.669
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Cl)ccc1-c1ccc(Cn2nnc3c(Br)cccc23)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H11BrClFN4/c19-14-2-1-3-17-18(14)23-24-25(17)10-11-4-7-16(22-9-11)13-6-5-12(20)8-15(13)21/h1-9H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LISMEBVADPOBBY-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