General Information of the Compound
| Compound ID |
CP0379116
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| Compound Name |
3-(benzenesulfonyl)-6-chloro-N-(4-methylphenyl)quinolin-4-amine
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| Structure |
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| Formula |
C22H17ClN2O2S
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| Molecular Weight |
408.91
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| Canonical SMILES |
Cc1ccc(Nc2c(cnc3ccc(Cl)cc23)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H17ClN2O2S/c1-15-7-10-17(11-8-15)25-22-19-13-16(23)9-12-20(19)24-14-21(22)28(26,27)18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)
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| InChIKey |
YRFAUKQXLFFGPE-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