General Information of the Compound
Compound ID
CP0123476
Compound Name
AMORPHASTILBOL
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Structure
Formula
C24H28O2
Molecular Weight
348.486
Canonical SMILES
CC(C)=CCC\C(C)=C\Cc1c(O)cc(\C=C\c2ccccc2)cc1O
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InChI
InChI=1S/C24H28O2/c1-18(2)8-7-9-19(3)12-15-22-23(25)16-21(17-24(22)26)14-13-20-10-5-4-6-11-20/h4-6,8,10-14,16-17,25-26H,7,9,15H2,1-3H3/b14-13+,19-12+
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InChIKey
YPGQBVBJFQCVKA-ORSZPIRQSA-N
CAS
72165-33-4
Physicochemical Property
logP
6.5034
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 6440462
SID: 152192677
ChEMBL ID
CHEMBL500257
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 12000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1520 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 850 nM