General Information of the Compound
Compound ID
CP0860640
Compound Name
1-[1-adamantylmethyleneamino]guanidine
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Structure
Formula
C12H20N4
Molecular Weight
220.32
Canonical SMILES
N=C(N)N/N=C/C12CC3CC(CC(C3)C1)C2
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InChI
InChI=1S/C12H20N4/c13-11(14)16-15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2,(H4,13,14,16)/b15-7+
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InChIKey
JQWIROUDWSKVDL-VIZOYTHASA-N
Physicochemical Property
logP
1.67167
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
74.26
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 60168135
ChEMBL ID
CHEMBL2165922
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: PT04406, Neuropeptide FF receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Kd = 41.69 nM
   TI
   LI
   LO
   TS
Protein ID: PT02666, Neuropeptide FF receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 298 nM
   TI
   LI
   LO
   TS