General Information of the Compound
| Compound ID |
CP0550182
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| Compound Name |
US9546164, 135
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| Structure |
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| Formula |
C25H28F4N2O5S
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| Molecular Weight |
544.567
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| Canonical SMILES |
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F
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| InChI |
InChI=1S/C25H28F4N2O5S/c1-37(33,34)30-24(32)21-12-20(18-4-5-18)23(13-22(21)26)35-15-17-8-10-31(11-9-17)14-16-2-6-19(7-3-16)36-25(27,28)29/h2-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,1H3,(H,30,32)
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| InChIKey |
QJNYOQCRJJMAOZ-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: PT05769, Sodium channel protein type 7 subunit alpha