General Information of the Compound
| Compound ID |
CP0430226
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| Compound Name |
4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylisoquinoline
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| Structure |
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| Formula |
C23H21N3O3S
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| Molecular Weight |
419.506
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| Canonical SMILES |
COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1cncc2ccccc12
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| InChI |
InChI=1S/C23H21N3O3S/c1-29-18-6-7-22-20(12-18)21(16-8-10-24-11-9-16)15-26(22)30(27,28)23-14-25-13-17-4-2-3-5-19(17)23/h2-8,12-15,24H,9-11H2,1H3
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| InChIKey |
GSHJIIAYCVNFDZ-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor