General Information of the Compound
Compound ID
CP0496827
Compound Name
2-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
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Structure
Formula
C25H32N2O2
Molecular Weight
392.543
Canonical SMILES
CC(Oc1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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InChI
InChI=1S/C25H32N2O2/c1-20(29-22-9-3-2-4-10-22)24(28)26-16-7-17-27-18-14-25(15-19-27)13-12-21-8-5-6-11-23(21)25/h2-6,8-11,20H,7,12-19H2,1H3,(H,26,28)
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InChIKey
CTIGPTDKJDSSSM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9402
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44407156
ChEMBL ID
CHEMBL383489
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 900 nM
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