General Information of the Compound
Compound ID
CP0428304
Compound Name
2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
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Structure
Formula
C24H30N2O
Molecular Weight
362.517
Canonical SMILES
O=C(Cc1ccccc1)NCCCN1CCC2(CCc3ccccc23)CC1
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InChI
InChI=1S/C24H30N2O/c27-23(19-20-7-2-1-3-8-20)25-15-6-16-26-17-13-24(14-18-26)12-11-21-9-4-5-10-22(21)24/h1-5,7-10H,6,11-19H2,(H,25,27)
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InChIKey
YYTKBOHDXKOQOC-UHFFFAOYSA-N
Physicochemical Property
logP
3.7154
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 11559590
SID: 16661851
ChEMBL ID
CHEMBL203469
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 > 1000 nM
   TI
   LI
   LO
   TS