General Information of the Compound
Compound ID
CP0296173
Compound Name
2-[(1S,2S)-2-phenylcyclopropyl]-4,5-dihydro-1H-imidazole
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Structure
Formula
C12H14N2
Molecular Weight
186.258
Canonical SMILES
C1[C@@H]([C@H]1c1ccccc1)C1=NCCN1
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InChI
InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11+/m1/s1
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InChIKey
FVWFMHXOBWAETG-MNOVXSKESA-N
Physicochemical Property
logP
1.7918
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
24.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 10419932
SID: 15438101
ChEMBL ID
CHEMBL94022
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: PT02100, Nischarin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000868 PC12 Rattus norvegicus (Rat)  2
1
Ki = 11.75 nM
   TI
   LI
   LO
   TS
2
Ki = 346.74 nM
   TI
   LI
   LO
   TS