General Information of the Compound
| Compound ID |
CP0543534
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| Compound Name |
US8952169, 146
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| Structure |
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| Formula |
C21H25ClFNO4S
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| Molecular Weight |
441.952
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| Canonical SMILES |
Fc1cc(OCC23CC4CC(CC(C4)C2)C3)c(Cl)cc1C(=O)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C21H25ClFNO4S/c22-17-6-16(20(25)24-29(26,27)15-1-2-15)18(23)7-19(17)28-11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-15H,1-5,8-11H2,(H,24,25)
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| InChIKey |
ISNMDOLXNFQPJG-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