General Information of the Compound
| Compound ID |
CP0483990
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| Compound Name |
US9212182, 698
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| Structure |
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| Formula |
C27H22FN3O6S
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| Molecular Weight |
535.553
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| Canonical SMILES |
COc1cc(ccc1C)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1ccon1
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| InChI |
InChI=1S/C27H22FN3O6S/c1-16-4-5-17(13-24(16)35-2)20-14-25(36-3)23(15-21(20)28)31-22-8-7-19(12-18(22)6-9-27(31)32)38(33,34)30-26-10-11-37-29-26/h4-15H,1-3H3,(H,29,30)
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| InChIKey |
XZPLBGXDXAPSEA-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