General Information of the Compound
Compound ID
CP0428244
Compound Name
2-(2-(3-(2-cyclopropylethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-4-yl)-N,N-dimethylethanamine
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Structure
Formula
C19H24N4O
Molecular Weight
324.428
Canonical SMILES
CN(C)CCc1cccc2[nH]c(cc12)-c1nc(CCC2CC2)no1
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InChI
InChI=1S/C19H24N4O/c1-23(2)11-10-14-4-3-5-16-15(14)12-17(20-16)19-21-18(22-24-19)9-8-13-6-7-13/h3-5,12-13,20H,6-11H2,1-2H3
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InChIKey
HHKXXMAUJGDUAK-UHFFFAOYSA-N
Physicochemical Property
logP
3.6646
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
57.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 136043774
ChEMBL ID
CHEMBL438079
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