General Information of the Compound
| Compound ID |
CP0409144
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| Compound Name |
1-((5-methoxy-1H-indol-3-yl)methyl)-4-(4-(methylthio)phenyl)piperidin-4-ol
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| Structure |
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| Formula |
C22H26N2O2S
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| Molecular Weight |
382.529
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| Canonical SMILES |
COc1ccc2[nH]cc(CN3CCC(O)(CC3)c3ccc(SC)cc3)c2c1
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| InChI |
InChI=1S/C22H26N2O2S/c1-26-18-5-8-21-20(13-18)16(14-23-21)15-24-11-9-22(25,10-12-24)17-3-6-19(27-2)7-4-17/h3-8,13-14,23,25H,9-12,15H2,1-2H3
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| InChIKey |
LIFHVPXIKLLTMH-UHFFFAOYSA-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
Protein ID: PT01161, D(4) dopamine receptor