General Information of the Compound
Compound ID
CP0417743
Compound Name
2-[(E)-2-phenylethenyl]phenol
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Structure
Formula
C14H12O
Molecular Weight
196.249
Canonical SMILES
Oc1ccccc1\C=C\c1ccccc1
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InChI
InChI=1S/C14H12O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11,15H/b11-10+
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InChIKey
AYPZAZPOYROADP-ZHACJKMWSA-N
CAS
18493-15-7
Physicochemical Property
logP
3.5626
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 5704879
SID: 16337524
ChEMBL ID
CHEMBL2387060
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: PT02148, 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 = 580 nM
   TI
   LI
   LO
   TS
2
IC50 = 2200 nM
   TI
   LI
   LO
   TS
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 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1700 nM
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS