General Information of the Compound
| Compound ID |
CP0483991
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| Compound Name |
US9212182, 628
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| Structure |
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| Formula |
C27H20ClFN4O5S
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| Molecular Weight |
566.998
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| Canonical SMILES |
COc1cc(ccc1Cl)-c1cc(OC)c(cc1F)-n1c2ccc(cc2ccc1=O)S(=O)(=O)Nc1cccnn1
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| InChI |
InChI=1S/C27H20ClFN4O5S/c1-37-24-13-16(5-8-20(24)28)19-14-25(38-2)23(15-21(19)29)33-22-9-7-18(12-17(22)6-10-27(33)34)39(35,36)32-26-4-3-11-30-31-26/h3-15H,1-2H3,(H,31,32)
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| InChIKey |
VGNVENCBQWXHQE-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