General Information of the Compound
| Compound ID |
CP0040825
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| Compound Name |
US9067922, 247
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| Structure |
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| Formula |
C19H13ClFN3O4S
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| Molecular Weight |
433.848
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| Canonical SMILES |
OCc1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ccc(F)cn2)cc1Cl
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| InChI |
InChI=1S/C19H13ClFN3O4S/c20-17-8-15(3-1-12(17)11-25)28-18-5-4-16(7-13(18)9-22)29(26,27)24-19-6-2-14(21)10-23-19/h1-8,10,25H,11H2,(H,23,24)
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| InChIKey |
LSWMNYFPGSRIIB-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