General Information of the Compound
Compound ID
CP0887288
Compound Name
(rac-trans-2-phenylcyclopropyl)(4-phenylpiperazin-1-yl)methanone
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Structure
Formula
C20H22N2O
Molecular Weight
306.409
Canonical SMILES
O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1
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InChI
InChI=1S/C20H22N2O/c23-20(19-15-18(19)16-7-3-1-4-8-16)22-13-11-21(12-14-22)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19+/m1/s1
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InChIKey
VNRLSOMNWLQRHF-MOPGFXCFSA-N
Physicochemical Property
logP
3.1389
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 6995232
SID: 15669643
ChEMBL ID
CHEMBL3218990
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: PT01509, Sigma non-opioid intracellular receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1258.93 nM
   TI
   LI
   LO
   TS