ecopipam   Click here for help

GtoPdb Ligand ID: 3304

Synonyms: SCH 39166 | SCH-39166 | SCH39166
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 23.47
Molecular weight 313.12
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCc2c(C3C1CCc1c3cccc1)cc(c(c2)Cl)O
Isomeric SMILES CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O
InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
1. Sunahara RK, Guan HC, O'Dowd BF, Seeman P, Laurier LG, Ng G, George SR, Torchia J, Van Tol HH, Niznik HB. (1991)
Cloning of the gene for a human dopamine D5 receptor with higher affinity for dopamine than D1.
Nature, 350 (6319): 614-9. [PMID:1826762]
2. Tice MA, Hashemi T, Taylor LA, Duffy RA, McQuade RD. (1994)
Characterization of the binding of SCH 39166 to the five cloned dopamine receptor subtypes.
Pharmacol Biochem Behav, 49 (3): 567-71. [PMID:7862709]