General Information of the Compound
| Compound ID |
CP0558445
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| Compound Name |
5-chloro-2-fluoro-N-(5-fluoro-1,3-thiazol-2-yl)-4-[[(2S)-2-(methylamino)-3-(1-methylcyclopropyl)propyl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C17H21ClF2N4O2S2
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| Molecular Weight |
450.964
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| Canonical SMILES |
CN[C@H](CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ncc(F)s1)CC1(C)CC1
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| InChI |
InChI=1S/C17H21ClF2N4O2S2/c1-17(3-4-17)7-10(21-2)8-22-13-6-12(19)14(5-11(13)18)28(25,26)24-16-23-9-15(20)27-16/h5-6,9-10,21-22H,3-4,7-8H2,1-2H3,(H,23,24)/t10-/m0/s1
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| InChIKey |
LUSWSESLUVPREY-JTQLQIEISA-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: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha