General Information of the Compound
Compound ID
CP0553710
Compound Name
N-cyclohexylquinolin-4-amine
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Synonyms
BDBM50278115
CHEMBL449616
N-cyclohexylquinolin-4-amine
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Structure
Formula
C15H18N2
Molecular Weight
226.323
Canonical SMILES
C1CCC(CC1)Nc1ccnc2ccccc12
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InChI
InChI=1S/C15H18N2/c1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h4-5,8-12H,1-3,6-7H2,(H,16,17)
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InChIKey
XRSBCRPPSASDNY-UHFFFAOYSA-N
Physicochemical Property
logP
3.9794
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
24.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 44591867
ChEMBL ID
CHEMBL449616
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6160 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-cyclohexylquinolin-4-amine )
Drug Name N-cyclohexylquinolin-4-amine
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
Inhibitor