General Information of the Compound
| Compound ID |
CP0435205
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| Compound Name |
5-methoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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| Structure |
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| Formula |
C19H20N2OS
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| Molecular Weight |
324.449
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| Canonical SMILES |
COc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
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| InChI |
InChI=1S/C19H20N2OS/c1-22-15-4-5-19-17(11-15)18(12-20-19)14-6-8-21(9-7-14)13-16-3-2-10-23-16/h2-6,10-12,20H,7-9,13H2,1H3
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| InChIKey |
DSEBSOFOVQJJPG-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor