General Information of the Compound
Compound ID
CP0443774
Compound Name
(E)-3-(3-Benzyloxy-phenyl)-2-phenyl-prop-2-en-1-ol
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Structure
Formula
C22H20O2
Molecular Weight
316.4
Canonical SMILES
OC\C(=C\c1cccc(OCc2ccccc2)c1)c1ccccc1
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InChI
InChI=1S/C22H20O2/c23-16-21(20-11-5-2-6-12-20)14-19-10-7-13-22(15-19)24-17-18-8-3-1-4-9-18/h1-15,23H,16-17H2/b21-14-
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InChIKey
GVOMQTPPDOOUJA-STZFKDTASA-N
Physicochemical Property
logP
4.7985
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 10495634
SID: 15520468
ChEMBL ID
CHEMBL96836
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 20000 nM
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   LI
   LO
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