(-)-stepholidine   

GtoPdb Ligand ID: 8370

Synonyms: L-stepholidine | S-stepholidine
Compound class: Synthetic organic
Comment: (−)-stepholidine is a pan-dopamine receptor antagonist [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 62.16
Molecular weight 327.15
XLogP 2.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2CCN3C(c2cc1O)Cc1c(C3)c(OC)c(cc1)O
Isomeric SMILES COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O
InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
InChI Key JKPISQIIWUONPB-HNNXBMFYSA-N
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Molecular structure representations generated using Open Babel