General Information of the Compound
Compound ID
CP0460177
Compound Name
N-[1-oxo-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropylamino)propan-2-yl]benzamide
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Structure
Formula
C26H33N3O2
Molecular Weight
419.569
Canonical SMILES
CC(NC(=O)c1ccccc1)C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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InChI
InChI=1S/C26H33N3O2/c1-20(28-25(31)22-9-3-2-4-10-22)24(30)27-16-7-17-29-18-14-26(15-19-29)13-12-21-8-5-6-11-23(21)26/h2-6,8-11,20H,7,12-19H2,1H3,(H,27,30)(H,28,31)
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InChIKey
NKBZUVDPGUGMCY-UHFFFAOYSA-N
Physicochemical Property
logP
3.2912
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 44407050
ChEMBL ID
CHEMBL201104
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
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