General Information of the Compound
Compound ID
CP0543787
Compound Name
6-methoxy-3-phenyl-1H-indene-2-carboxylic acid ethyl ester
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Structure
Formula
C19H18O3
Molecular Weight
294.35
Canonical SMILES
CCOC(=O)C1=C(c2ccc(OC)cc2C1)c1ccccc1
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InChI
InChI=1S/C19H18O3/c1-3-22-19(20)17-12-14-11-15(21-2)9-10-16(14)18(17)13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
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InChIKey
XSRXKQDWXQCVGE-UHFFFAOYSA-N
Physicochemical Property
logP
3.6163
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
35.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 11845112
SID: 17157896
ChEMBL ID
CHEMBL214369
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 > 10000 nM
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