General Information of the Compound
Compound ID
CP0480620
Compound Name
2-{1H-pyrrolo[3,2-c]pyridin-3-yl}ethan-1-amine, 9
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Structure
Formula
C9H11N3
Molecular Weight
161.208
Canonical SMILES
NCCc1c[nH]c2ccncc12
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InChI
InChI=1S/C9H11N3/c10-3-1-7-5-12-9-2-4-11-6-8(7)9/h2,4-6,12H,1,3,10H2
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InChIKey
MPGWXKYGIDJLQT-UHFFFAOYSA-N
Physicochemical Property
logP
1.0641
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
54.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 22662986
SID: 125267102
ChEMBL ID
CHEMBL2260372
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 = 64 nM
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