General Information of the Compound
| Compound ID |
CP0056178
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| Compound Name |
4-fluoranyl-N-(4-oxidanyl-3-quinolin-8-ylsulfanyl-naphthalen-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C25H17FN2O3S2
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| Molecular Weight |
476.554
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| Canonical SMILES |
Oc1c(Sc2cccc3cccnc23)cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H17FN2O3S2/c26-17-10-12-18(13-11-17)33(30,31)28-21-15-23(25(29)20-8-2-1-7-19(20)21)32-22-9-3-5-16-6-4-14-27-24(16)22/h1-15,28-29H
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| InChIKey |
HLVJWPTZQDKJQP-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3