5-hydroxytryptamine   

GtoPdb Ligand ID: 5

Abbreviated name: 5-HT
Synonyms: serotonin
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 62.04
Molecular weight 176.09
XLogP 1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NCCc1c[nH]c2c1cc(O)cc2
Isomeric SMILES NCCc1c[nH]c2c1cc(O)cc2
InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
InChI Key QZAYGJVTTNCVMB-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
3-(2-Aminoethyl)-1H-indol-5-o
Synonyms
serotonin
Database Links
BindingDB Ligand 21359
CAS Registry No. 50-67-9
ChEBI CHEBI:28790
ChEMBL Ligand CHEMBL39
GtoPdb PubChem SID 135651413
PubChem CID 5202
RCSB PDB Ligand SRO
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Wikipedia Serotonin