General Information of the Compound
| Compound ID |
CP0435199
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| Compound Name |
5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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| Structure |
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| Formula |
C20H22N2OS
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| Molecular Weight |
338.476
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| Canonical SMILES |
CCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
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| InChI |
InChI=1S/C20H22N2OS/c1-2-23-16-5-6-20-18(12-16)19(13-21-20)15-7-9-22(10-8-15)14-17-4-3-11-24-17/h3-7,11-13,21H,2,8-10,14H2,1H3
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| InChIKey |
PQOIAGPIJULJKW-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: PT01005, D(2) dopamine receptor