General Information of the Compound
| Compound ID |
CP0147070
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| Compound Name |
N-(4-hydroxy-3-quinolin-8-ylsulfanylnaphthalen-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C25H18N2O3S2
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| Molecular Weight |
458.564
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| Canonical SMILES |
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H18N2O3S2/c28-25-20-13-5-4-12-19(20)21(27-32(29,30)18-10-2-1-3-11-18)16-23(25)31-22-14-6-8-17-9-7-15-26-24(17)22/h1-16,27-28H
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| InChIKey |
PQIKPRFFZWZBIW-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: PT06109, Geminin