General Information of the Compound
| Compound ID |
CP0386464
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| Compound Name |
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
CC1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
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| InChI |
InChI=1S/C18H21N3O3S/c1-14-9-12-21(13-10-14)25(23,24)16-7-5-15(6-8-16)20-18(22)17-4-2-3-11-19-17/h2-8,11,14H,9-10,12-13H2,1H3,(H,20,22)
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| InChIKey |
GRHKWMYCLAXLQX-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