General Information of the Compound
| Compound ID |
CP0040824
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| Compound Name |
US9067922, 1
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| Synonyms |
PMID27414413-Compound-Figure3bottomleft
Sulfonamide derivative 10
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| Structure |
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| Formula |
C19H10ClFN4O3S
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| Molecular Weight |
428.832
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(Cl)c3)c(c2)C#N)nc1
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| InChI |
InChI=1S/C19H10ClFN4O3S/c20-17-8-15(3-1-12(17)9-22)28-18-5-4-16(7-13(18)10-23)29(26,27)25-19-6-2-14(21)11-24-19/h1-8,11H,(H,24,25)
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| InChIKey |
ABKCBHGHCYFDNT-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: PT03073, Solute carrier family 22 member 12
Clinical Information about the Compound