General Information of the Compound
Compound ID
CP0423012
Compound Name
3-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
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Structure
Formula
C30H30O4
Molecular Weight
454.566
Canonical SMILES
Cc1c2C(=O)C(Cc2cc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c1C)C1CCCC1
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InChI
InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)21-8-3-4-9-21)16-27(18)34-17-20-7-5-10-22(13-20)23-11-6-12-24(14-23)30(32)33/h5-7,10-14,16,21,26H,3-4,8-9,15,17H2,1-2H3,(H,32,33)
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InChIKey
GASRLPRUSRJGRY-UHFFFAOYSA-N
Physicochemical Property
logP
6.79284
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
63.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 11568710
SID: 16670984
ChEMBL ID
CHEMBL4752318
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: PT01491, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 69 nM
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