General Information of the Compound
Compound ID
CP0390293
Compound Name
3-chloro-N-(3-(cyclopentanecarboxamido)phenyl)benzamide
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Structure
Formula
C19H19ClN2O2
Molecular Weight
342.826
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CCCC2)c1
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InChI
InChI=1S/C19H19ClN2O2/c20-15-8-3-7-14(11-15)19(24)22-17-10-4-9-16(12-17)21-18(23)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,21,23)(H,22,24)
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InChIKey
UGESFCUNULNQRU-UHFFFAOYSA-N
Physicochemical Property
logP
4.721
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 46879468
ChEMBL ID
CHEMBL1081717
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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