General Information of the Compound
Compound ID
CP0947425
Compound Name
rac-trans-N-(3-(dimethylamino)-2,2-dimethylpropyl)-2-phenylcyclopropanecarboxamide
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Structure
Formula
C17H26N2O
Molecular Weight
274.408
Canonical SMILES
CN(C)CC(C)(C)CNC(=O)[C@H]1C[C@@H]1c1ccccc1
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InChI
InChI=1S/C17H26N2O/c1-17(2,12-19(3)4)11-18-16(20)15-10-14(15)13-8-6-5-7-9-13/h5-9,14-15H,10-12H2,1-4H3,(H,18,20)/t14-,15+/m1/s1
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InChIKey
WROJAXRJIMPTDV-CABCVRRESA-N
Physicochemical Property
logP
2.4941
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 90666085
ChEMBL ID
CHEMBL3218984
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 = 398.11 nM
   TI
   LI
   LO
   TS