General Information of the Compound
Compound ID |
CP0849854
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-(3-(4-bromostyryl)-5-fluorophenyl)pyridine
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C19H13BrFN
|
||||||||||||||||||
Molecular Weight |
354.222
|
||||||||||||||||||
Canonical SMILES |
Fc1cc(/C=C/c2ccc(Br)cc2)cc(-c2ccncc2)c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C19H13BrFN/c20-18-5-3-14(4-6-18)1-2-15-11-17(13-19(21)12-15)16-7-9-22-10-8-16/h1-13H/b2-1+
Show/Hide
|
||||||||||||||||||
InChIKey |
JJNWGIGUWXSEBF-OWOJBTEDSA-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT01584, Steroid 17-alpha-hydroxylase/17,20 lyase
Protein ID: PT05184, Steroid 21-hydroxylase