quinpirole   Click here for help

GtoPdb Ligand ID: 2

Synonyms: (-)-quinpirole
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 31.92
Molecular weight 219.17
XLogP 2.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN1CCCC2C1Cc1cn[nH]c1C2
Isomeric SMILES CCCN1CCC[C@H]2[C@H]1Cc1cn[nH]c1C2
InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
InChI Key FTSUPYGMFAPCFZ-ZWNOBZJWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4aR,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrido[2,3-f]indazole
International Nonproprietary Names Click here for help
INN number INN
5610 quinpirole
Synonyms Click here for help
(-)-quinpirole
Database Links Click here for help
BindingDB Ligand 50221678
CAS Registry No. 80373-22-4 (source: Scifinder)
ChEBI CHEBI:75401
ChEMBL Ligand CHEMBL240773
GtoPdb PubChem SID 135650874
PubChem CID 54562
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Wikipedia Quinpirole