General Information of the Compound
| Compound ID |
CP0379117
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| Compound Name |
1-[3-(benzenesulfonyl)-6-chloroquinolin-4-yl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C21H20ClN3O3S
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| Molecular Weight |
429.929
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| Canonical SMILES |
NC(=O)C1CCN(CC1)c1c(cnc2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H20ClN3O3S/c22-15-6-7-18-17(12-15)20(25-10-8-14(9-11-25)21(23)26)19(13-24-18)29(27,28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2,(H2,23,26)
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| InChIKey |
KOIHILUUMUOCCD-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