General Information of the Compound
Compound ID
CP0236531
Compound Name
2,6-dibromo-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
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Structure
Formula
C14H10Br2O2
Molecular Weight
370.04
Canonical SMILES
Oc1ccc(\C=C\c2cc(Br)c(O)c(Br)c2)cc1
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InChI
InChI=1S/C14H10Br2O2/c15-12-7-10(8-13(16)14(12)18)2-1-9-3-5-11(17)6-4-9/h1-8,17-18H/b2-1+
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InChIKey
KGDYRCIWRHRFPK-OWOJBTEDSA-N
Physicochemical Property
logP
4.7932
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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).

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PubChem ID
CID: 45257938
SID: 92727441
ChEMBL ID
CHEMBL4064244
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 16100 nM
   TI
   LI
   LO
   TS