General Information of the Compound
| Compound ID |
CP0561420
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| Compound Name |
US9012443, 487
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| Structure |
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| Formula |
C27H18FN5O3S
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| Molecular Weight |
511.538
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| Canonical SMILES |
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(F)cc(c1)C#N
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| InChI |
InChI=1S/C27H18FN5O3S/c1-36-25-14-18(20-10-17(15-29)11-21(28)12-20)2-4-24(25)27-23-5-3-22(13-19(23)6-9-31-27)37(34,35)33-26-7-8-30-16-32-26/h2-14,16H,1H3,(H,30,32,33)
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| InChIKey |
OBVZHDKWMKBQLS-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