General Information of the Compound
Compound ID
CP0405305
Compound Name
4-Chloro-3'-((2-(cyclopropylmethyl)-1-oxoisoindolin-5-yloxy)-methyl)biphenyl-3-carboxylic Acid
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Structure
Formula
C26H22ClNO4
Molecular Weight
447.918
Canonical SMILES
OC(=O)c1cc(ccc1Cl)-c1cccc(COc2ccc3C(=O)N(CC4CC4)Cc3c2)c1
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InChI
InChI=1S/C26H22ClNO4/c27-24-9-6-19(12-23(24)26(30)31)18-3-1-2-17(10-18)15-32-21-7-8-22-20(11-21)14-28(25(22)29)13-16-4-5-16/h1-3,6-12,16H,4-5,13-15H2,(H,30,31)
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InChIKey
KVJSUTHOTPIBKD-UHFFFAOYSA-N
Physicochemical Property
logP
5.65
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
66.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"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: 50993964
SID: 117640076
ChEMBL ID
CHEMBL1651210
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 = 80 nM
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