General Information of the Compound
| Compound ID |
CP0417310
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| Compound Name |
5-chloro-2-fluoro-4-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C18H22ClFN4O2S2
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| Molecular Weight |
444.985
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| Canonical SMILES |
Fc1cc(NCC2(CN3CCCC3)CC2)c(Cl)cc1S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H22ClFN4O2S2/c19-13-9-16(28(25,26)23-17-21-5-8-27-17)14(20)10-15(13)22-11-18(3-4-18)12-24-6-1-2-7-24/h5,8-10,22H,1-4,6-7,11-12H2,(H,21,23)
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| InChIKey |
XQNPGEXHLFHSFB-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
Protein ID: PT02269, Sodium channel protein type 9 subunit alpha