General Information of the Compound
Compound ID
CP0264747
Compound Name
4-(1-benzyl-1H-imidazol-2-yl)-N-ethyl-4-phenylpiperidine-1-carboxamide
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Structure
Formula
C24H28N4O
Molecular Weight
388.515
Canonical SMILES
CCNC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H28N4O/c1-2-25-23(29)27-16-13-24(14-17-27,21-11-7-4-8-12-21)22-26-15-18-28(22)19-20-9-5-3-6-10-20/h3-12,15,18H,2,13-14,16-17,19H2,1H3,(H,25,29)
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InChIKey
HXVNOSINGOXKMH-UHFFFAOYSA-N
Physicochemical Property
logP
4.0428
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
50.16
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: 44406109
ChEMBL ID
CHEMBL198238
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: PT01200, Delta-type opioid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000049 C6 Rattus norvegicus (Rat)  1
1
EC50 = 117 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 39 nM