General Information of the Compound
Compound ID
CP0562257
Compound Name
8-chloroquinolin-4-amine
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Structure
Formula
C9H7ClN2
Molecular Weight
178.622
Canonical SMILES
Nc1ccnc2c(Cl)cccc12
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InChI
InChI=1S/C9H7ClN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)
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InChIKey
OIXSIWQVJINCRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4704
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
38.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 12292890
ChEMBL ID
CHEMBL4847939
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
EC50 = 49000 nM
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