5-CT   Click here for help

GtoPdb Ligand ID: 4

Synonyms: 5-carboxamidotryptamine
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 84.9
Molecular weight 203.11
XLogP 0.3
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCc1c[nH]c2c1cc(cc2)C(=O)N
Isomeric SMILES NCCc1c[nH]c2c1cc(cc2)C(=O)N
InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChI Key WKZLNEWVIAGNAW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(2-aminoethyl)-1H-indole-5-carboxamide
Synonyms Click here for help
5-carboxamidotryptamine
Database Links Click here for help
BindingDB Ligand 29555
CAS Registry No. 74885-09-9
ChEBI CHEBI:48292
ChEMBL Ligand CHEMBL18840
GtoPdb PubChem SID 135649828
PubChem CID 1809
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Wikipedia 5-Carboxamidotryptamine