General Information of the Compound
Compound ID
CP0571045
Compound Name
7-chloroquinoline
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Structure
Formula
C9H6ClN
Molecular Weight
163.607
Canonical SMILES
Clc1ccc2cccnc2c1
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InChI
InChI=1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
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InChIKey
QNGUPQRODVPRDC-UHFFFAOYSA-N
CAS
612-61-3
Physicochemical Property
logP
2.8882
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 521963
SID: 49838978
ChEMBL ID
CHEMBL4877902
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: PT05155, Nuclear receptor subfamily 4 group A member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 89000 nM
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