General Information of the Compound
| Compound ID |
CP0504617
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| Compound Name |
4-[(4-chlorophenyl)methylsulfanyl]-6-fluoro-3-(4-methylphenyl)sulfonylquinoline
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| Structure |
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| Formula |
C23H17ClFNO2S2
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| Molecular Weight |
457.979
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)c1cnc2ccc(F)cc2c1SCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H17ClFNO2S2/c1-15-2-9-19(10-3-15)30(27,28)22-13-26-21-11-8-18(25)12-20(21)23(22)29-14-16-4-6-17(24)7-5-16/h2-13H,14H2,1H3
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| InChIKey |
SJMSRWIGJKIMDC-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