General Information of the Compound
Compound ID
CP0456301
Compound Name
(1S,2S)-N-(2-chlorophenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
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Structure
Formula
C16H13Cl2NO
Molecular Weight
306.192
Canonical SMILES
Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl
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InChI
InChI=1S/C16H13Cl2NO/c17-11-5-3-4-10(8-11)12-9-13(12)16(20)19-15-7-2-1-6-14(15)18/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1
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InChIKey
DHQKNURZKWSXFF-OLZOCXBDSA-N
Physicochemical Property
logP
4.7356
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 118736169
ChEMBL ID
CHEMBL3423098
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: PT06161, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 71000 nM
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