General Information of the Compound
| Compound ID |
CP0196967
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| Compound Name |
CHEMBL4087898
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| Formula |
C17H22F2N4O3S2
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| Molecular Weight |
432.518
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| Canonical SMILES |
C[C@]1(CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)CC[C@H](N)CC1
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| InChI |
InChI=1S/C17H22F2N4O3S2/c1-17(4-2-11(20)3-5-17)6-7-26-14-8-13(19)15(9-12(14)18)28(24,25)23-16-21-10-22-27-16/h8-11H,2-7,20H2,1H3,(H,21,22,23)/t11-,17-
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| InChIKey |
FKGBDYKCOHLSSI-QQVUYCAZSA-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