General Information of the Compound
| Compound ID |
CP0403814
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| Compound Name |
(S)-1-Propyl-3-(3-thiophen-3-yl-phenyl)-piperidine
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| Structure |
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| Formula |
C18H23NS
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| Molecular Weight |
285.456
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| Canonical SMILES |
CCCN1CCC[C@H](C1)c1cccc(c1)-c1ccsc1
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| InChI |
InChI=1S/C18H23NS/c1-2-9-19-10-4-7-17(13-19)15-5-3-6-16(12-15)18-8-11-20-14-18/h3,5-6,8,11-12,14,17H,2,4,7,9-10,13H2,1H3/t17-/m1/s1
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| InChIKey |
WKZQYOGJYMCSPM-QGZVFWFLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor