General Information of the Compound
| Compound ID |
CP0102361
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| Compound Name |
4-[(1-acetylpiperidin-3-yl)methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C17H20ClFN4O3S2
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| Molecular Weight |
446.957
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| Canonical SMILES |
CC(=O)N1CCCC(CNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)C1
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| InChI |
InChI=1S/C17H20ClFN4O3S2/c1-11(24)23-5-2-3-12(10-23)9-21-15-8-14(19)16(7-13(15)18)28(25,26)22-17-20-4-6-27-17/h4,6-8,12,21H,2-3,5,9-10H2,1H3,(H,20,22)
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| InChIKey |
FDLMAPIOZIFPBT-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha