General Information of the Compound
Compound ID
CP0470230
Compound Name
N-(2-bicyclo[2.2.1]heptanyl)-3-(1,3-dioxoisoindol-2-yl)benzamide
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Structure
Formula
C22H20N2O3
Molecular Weight
360.413
Canonical SMILES
O=C(NC1CC2CCC1C2)c1cccc(c1)N1C(=O)c2ccccc2C1=O
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InChI
InChI=1S/C22H20N2O3/c25-20(23-19-11-13-8-9-14(19)10-13)15-4-3-5-16(12-15)24-21(26)17-6-1-2-7-18(17)22(24)27/h1-7,12-14,19H,8-11H2,(H,23,25)
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InChIKey
HAOXLWHTJOXRAS-UHFFFAOYSA-N
Physicochemical Property
logP
3.4056
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 46878730
ChEMBL ID
CHEMBL1081053
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 30000 nM
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