General Information of the Compound
Compound ID
CP0395368
Compound Name
2-(2-(2-(3-(4-chlorophenethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)ethoxy)-N,N-dimethylethanamine
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Structure
Formula
C24H27ClN4O2
Molecular Weight
438.959
Canonical SMILES
CN(C)CCOCCc1cccc2[nH]c(cc12)-c1nc(CCc2ccc(Cl)cc2)no1
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InChI
InChI=1S/C24H27ClN4O2/c1-29(2)13-15-30-14-12-18-4-3-5-21-20(18)16-22(26-21)24-27-23(28-31-24)11-8-17-6-9-19(25)10-7-17/h3-7,9-10,16,26H,8,11-15H2,1-2H3
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InChIKey
LUEVEHTZMJITHX-UHFFFAOYSA-N
Physicochemical Property
logP
4.7772
Rotatable Bonds
10
Heavy Atom Count
31
Polar Areas
67.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 136043780
ChEMBL ID
CHEMBL379048
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 = 97 nM
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