(-)-N-porphynorapomorphine   

GtoPdb Ligand ID: 969

Synonyms: (-)-N-porphynorapomorphine | n-propylapomorphine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
Canonical SMILES CCCN1CCc2c3C1Cc1ccc(c(c1c3ccc2)O)O
Isomeric SMILES CCCN1CCc2c3[C@H]1Cc1ccc(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/t15-/m1/s1
InChI Key BTGAJCKRXPNBFI-OAHLLOKOSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(9R)-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
Synonyms
(-)-N-porphynorapomorphine | n-propylapomorphine
Database Links
BindingDB Ligand 50007422
CAS Registry No. 21323-10-4 (source: Scifinder)
ChEMBL Ligand CHEMBL225230
GtoPdb PubChem SID 135650738
PubChem CID 167715
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