General Information of the Compound
| Compound ID |
CP0389375
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| Compound Name |
US9079902, 39
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| Structure |
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| Formula |
C18H16N4O4S3
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| Molecular Weight |
448.551
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| Canonical SMILES |
Cn1cc(-c2cccc(c2)S(C)(=O)=O)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C18H16N4O4S3/c1-22-10-16(12-4-3-5-13(8-12)28(2,23)24)15-7-6-14(9-17(15)22)29(25,26)21-18-19-11-20-27-18/h3-11H,1-2H3,(H,19,20,21)
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| InChIKey |
IKFYRPAVBWJTAF-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