General Information of the Compound
Compound ID
CP0264750
Compound Name
4-(1-benzyl-1H-imidazol-2-yl)-N-(2-methoxyphenyl)-4-phenylpiperidine-1-carboxamide
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Structure
Formula
C29H30N4O2
Molecular Weight
466.585
Canonical SMILES
COc1ccccc1NC(=O)N1CCC(CC1)(c1nccn1Cc1ccccc1)c1ccccc1
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InChI
InChI=1S/C29H30N4O2/c1-35-26-15-9-8-14-25(26)31-28(34)32-19-16-29(17-20-32,24-12-6-3-7-13-24)27-30-18-21-33(27)22-23-10-4-2-5-11-23/h2-15,18,21H,16-17,19-20,22H2,1H3,(H,31,34)
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InChIKey
YHGHTEGMNWFBMH-UHFFFAOYSA-N
Physicochemical Property
logP
5.554
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
59.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 44406224
ChEMBL ID
CHEMBL199378
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 = 31 nM