General Information of the Compound
| Compound ID |
CP0411542
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| Compound Name |
US9079902, 28
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| Structure |
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| Formula |
C18H15FN4O3S2
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| Molecular Weight |
418.475
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| Canonical SMILES |
COc1cc(F)ccc1-c1cn(C)c2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H15FN4O3S2/c1-23-9-15(14-5-3-11(19)7-17(14)26-2)13-6-4-12(8-16(13)23)28(24,25)22-18-20-10-21-27-18/h3-10H,1-2H3,(H,20,21,22)
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| InChIKey |
CEKBSYAAPZUBEG-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