General Information of the Compound
| Compound ID |
CP0450594
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| Compound Name |
US9346798, 127
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| Structure |
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| Formula |
C18H13F2N3O5S2
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| Molecular Weight |
453.448
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| Canonical SMILES |
FC1(F)Oc2ccc(cc2O1)N1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C18H13F2N3O5S2/c19-18(20)27-14-4-1-11(9-16(14)28-18)23-6-7-26-15-10-12(2-3-13(15)23)30(24,25)22-17-21-5-8-29-17/h1-5,8-10H,6-7H2,(H,21,22)
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| InChIKey |
VNTNWUDQWRUOBE-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