General Information of the Compound
| Compound ID |
CP0311330
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| Compound Name |
4-[2-(azetidin-3-yl)ethylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C14H16ClFN4O2S2
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| Molecular Weight |
390.893
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| Canonical SMILES |
Fc1cc(NCCC2CNC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C14H16ClFN4O2S2/c15-10-5-13(24(21,22)20-14-19-3-4-23-14)11(16)6-12(10)18-2-1-9-7-17-8-9/h3-6,9,17-18H,1-2,7-8H2,(H,19,20)
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| InChIKey |
KRBZMGJRGYZYBD-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