General Information of the Compound
| Compound ID |
CP0418579
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| Compound Name |
2-(benzenesulfonyl)-4,6-diphenylthieno[2,3-b]pyridin-3-amine
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| Structure |
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| Formula |
C25H18N2O2S2
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| Molecular Weight |
442.565
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| Canonical SMILES |
Nc1c(sc2nc(cc(-c3ccccc3)c12)-c1ccccc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H18N2O2S2/c26-23-22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)27-24(22)30-25(23)31(28,29)19-14-8-3-9-15-19/h1-16H,26H2
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| InChIKey |
PHEPNHJLUOMPKC-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