General Information of the Compound
Compound ID
CP0920988
Compound Name
cis-2-Guanidinyl-ethyl-1-N-aminocyclopropane-1-carboxy-lic acid
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Structure
Formula
C7H14N4O2
Molecular Weight
186.215
Canonical SMILES
N=C(N)NCC[C@H]1C[C@@]1(N)C(=O)O
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InChI
InChI=1S/C7H14N4O2/c8-6(9)11-2-1-4-3-7(4,10)5(12)13/h4H,1-3,10H2,(H,12,13)(H4,8,9,11)/t4-,7-/m0/s1
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InChIKey
SJCQOUKXTRRVOR-FFWSUHOLSA-N
Physicochemical Property
logP
-1.33843
Rotatable Bonds
4
Heavy Atom Count
13
Polar Areas
125.22
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
3
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: 102331684
ChEMBL ID
CHEMBL3347673
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: PT06279, G-protein coupled receptor family C group 6 member A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000027 tsA201 Homo sapiens (Human)  2
1
EC50 = 77400 nM
   TI
   LI
   LO
   TS
2
Ki = 75857.76 nM
   TI
   LI
   LO
   TS