General Information of the Compound
Compound ID
CP0286684
Compound Name
(2-{2-[3-(3-Methoxy-benzyl)-[1,2,4]oxadiazol-5-yl]-1H-indol-3-yl}-ethyl)-dimethyl-amine
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
COc1cccc(Cc2noc(n2)-c2[nH]c3ccccc3c2CCN(C)C)c1
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InChI
InChI=1S/C22H24N4O2/c1-26(2)12-11-18-17-9-4-5-10-19(17)23-21(18)22-24-20(25-28-22)14-15-7-6-8-16(13-15)27-3/h4-10,13,23H,11-12,14H2,1-3H3
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InChIKey
ONLWRKMVSCLBOD-UHFFFAOYSA-N
Physicochemical Property
logP
3.9214
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
67.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 135437144
SID: 16002423
ChEMBL ID
CHEMBL329329
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 1.3 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.3 nM