dipropyl-5-CT   

GtoPdb Ligand ID: 122

Synonyms: DP-5-CT | DP5CT | N,N-dipropylcarboxamidotryptamine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 62.12
Molecular weight 287.2
XLogP 2.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N
Isomeric SMILES CCCN(CCC)CCc1c[nH]c2c1cc(cc2)C(=O)N
InChI InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)
InChI Key DPXOFRGRKPFZOD-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
Synonyms
DP-5-CT | DP5CT | N,N-dipropylcarboxamidotryptamine
Database Links
BindingDB Ligand 81789
CAS Registry No. 74885-25-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1332062
GtoPdb PubChem SID 135650195
PubChem CID 156314
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