General Information of the Compound
| Compound ID |
CP0550478
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| Compound Name |
US9012443, 371
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| Structure |
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| Formula |
C27H20F2N4O3S
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| Molecular Weight |
518.545
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| Canonical SMILES |
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1cc(C)ncn1)-c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C27H20F2N4O3S/c1-16-9-26(32-15-31-16)33-37(34,35)22-4-6-23-18(12-22)7-8-30-27(23)24-5-3-17(13-25(24)36-2)19-10-20(28)14-21(29)11-19/h3-15H,1-2H3,(H,31,32,33)
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| InChIKey |
YFOIZINSBOTVOO-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