General Information of the Compound
Compound ID
CP0472155
Compound Name
4-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
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Structure
Formula
C15H14O2
Molecular Weight
226.275
Canonical SMILES
COc1ccc(\C=C\c2ccc(O)cc2)cc1
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InChI
InChI=1S/C15H14O2/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11,16H,1H3/b3-2+
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InChIKey
KKYPOVJDPNCJMJ-NSCUHMNNSA-N
CAS
18951-44-5
Physicochemical Property
logP
3.5712
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 6442187
SID: 16558296
ChEMBL ID
CHEMBL3736424
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 = 10100 nM
   TI
   LI
   LO
   TS
2
IC50 = 10000 nM
   TI
   LI
   LO
   TS
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