General Information of the Compound
Compound ID
CP0429815
Compound Name
3-chloro-N-(3-(cyclopropanecarboxamido)phenyl)benzamide
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Structure
Formula
C17H15ClN2O2
Molecular Weight
314.772
Canonical SMILES
Clc1cccc(c1)C(=O)Nc1cccc(NC(=O)C2CC2)c1
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InChI
InChI=1S/C17H15ClN2O2/c18-13-4-1-3-12(9-13)17(22)20-15-6-2-5-14(10-15)19-16(21)11-7-8-11/h1-6,9-11H,7-8H2,(H,19,21)(H,20,22)
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InChIKey
DVPJKCSLNVJDNB-UHFFFAOYSA-N
Physicochemical Property
logP
3.9408
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 25550890
SID: 93367326
ChEMBL ID
CHEMBL1081895
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 = 2230 nM
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