General Information of the Compound
| Compound ID |
CP0555567
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| Compound Name |
US9212182, 581
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| Structure |
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| Formula |
C25H19FN4O6S
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| Molecular Weight |
522.514
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| Canonical SMILES |
COc1cc(ccc1-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1)-c1cc(F)cnc1OC
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| InChI |
InChI=1S/C25H19FN4O6S/c1-34-22-12-15(19-13-17(26)14-27-25(19)35-2)3-6-21(22)30-20-7-5-18(11-16(20)4-8-24(30)31)37(32,33)29-23-9-10-36-28-23/h3-14H,1-2H3,(H,28,29)
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| InChIKey |
BTLMGPIWTWZTDZ-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