General Information of the Compound
Compound ID
CP0480621
Compound Name
dimethyl(2-{1H-pyrrolo[3,2-c]pyridin-3-yl}ethyl)amine, 14
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Structure
Formula
C11H15N3
Molecular Weight
189.262
Canonical SMILES
CN(C)CCc1c[nH]c2ccncc12
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InChI
InChI=1S/C11H15N3/c1-14(2)6-4-9-7-13-11-3-5-12-8-10(9)11/h3,5,7-8,13H,4,6H2,1-2H3
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InChIKey
QQRZEUWHGIIAAU-UHFFFAOYSA-N
Physicochemical Property
logP
1.667
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
31.92
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"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: 71463515
ChEMBL ID
CHEMBL2260373
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 100 nM
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   LI
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   TS