General Information of the Compound
| Compound ID |
CP0463395
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| Compound Name |
US9012443, 468
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| Structure |
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| Formula |
C27H22N4O4S
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| Molecular Weight |
498.564
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(c(OC)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
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| InChI |
InChI=1S/C27H22N4O4S/c1-34-21-6-3-18(4-7-21)19-5-9-24(25(16-19)35-2)27-23-10-8-22(15-20(23)11-14-29-27)36(32,33)31-26-12-13-28-17-30-26/h3-17H,1-2H3,(H,28,30,31)
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| InChIKey |
NZEXZVQCBRICOH-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