General Information of the Compound
Compound ID
CP0424645
Compound Name
[(1R,3S)-3-(1H-imidazol-5-yl)cyclopentyl]methanamine
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Structure
Formula
C9H15N3
Molecular Weight
165.24
Canonical SMILES
NC[C@@H]1CC[C@@H](C1)c1c[nH]cn1
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InChI
InChI=1S/C9H15N3/c10-4-7-1-2-8(3-7)9-5-11-6-12-9/h5-8H,1-4,10H2,(H,11,12)/t7-,8+/m1/s1
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InChIKey
OCAVWRASUZEXJS-SFYZADRCSA-N
Physicochemical Property
logP
1.2521
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
54.7
Hydrogen Bond Donor Count
2
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: 127048890
ChEMBL ID
CHEMBL3805995
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01357, Histamine H2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 150 nM
   TI
   LI
   LO
   TS