N-propylnorapomorphine   Click here for help

GtoPdb Ligand ID: 934

Abbreviated name: NPA
Compound class: Synthetic organic
Comment: ChEMBL represents this compound with specified stereochemistry with the entry CHEMBL330274.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 43.7
Molecular weight 295.16
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O
Isomeric SMILES CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O
InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3
InChI Key BTGAJCKRXPNBFI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
10-propyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol
Database Links Click here for help
CAS Registry No. 57559-68-9 (source: Scifinder)
GtoPdb PubChem SID 135650737
PubChem CID 30137
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