General Information of the Compound
Compound ID
CP0908267
Compound Name
1-Cyclopentylbiguanide hydrochloride
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Structure
Formula
C7H16ClN5
Molecular Weight
205.693
Canonical SMILES
Cl.NC(N)=N/C(N)=N/C1CCCC1
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InChI
InChI=1S/C7H15N5.ClH/c8-6(9)12-7(10)11-5-3-1-2-4-5;/h5H,1-4H2,(H6,8,9,10,11,12);1H
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InChIKey
UPDLIXHNVHSRSH-UHFFFAOYSA-N
Physicochemical Property
logP
-0.0611
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
102.78
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
1
Complexity
13

"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: 71446643
ChEMBL ID
CHEMBL4084561
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: PT06391, Trace amine-associated receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
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