General Information of the Compound
| Compound ID |
CP0427520
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| Compound Name |
N-methyl-N-(1-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C13H19N3O4S
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| Molecular Weight |
313.379
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| Canonical SMILES |
CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C13H19N3O4S/c1-14-9-7-11(8-10-14)15(2)21(19,20)13-5-3-12(4-6-13)16(17)18/h3-6,11H,7-10H2,1-2H3
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| InChIKey |
IMMALSULMDTGJB-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C