General Information of the Compound
| Compound ID |
CP0552090
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| Compound Name |
4-[(2-benzylpyrrolidin-2-yl)methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Formula |
C21H22ClFN4O2S2
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| Molecular Weight |
481.018
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| Canonical SMILES |
Fc1cc(NCC2(Cc3ccccc3)CCCN2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C21H22ClFN4O2S2/c22-16-11-19(31(28,29)27-20-24-9-10-30-20)17(23)12-18(16)25-14-21(7-4-8-26-21)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,25-26H,4,7-8,13-14H2,(H,24,27)
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| InChIKey |
GVGBKXMUVOMTDB-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: PT03581, Sodium channel protein type 8 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha