General Information of the Compound
| Compound ID |
CP0559763
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| Compound Name |
US9012443, 495
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| Structure |
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| Formula |
C27H21ClN4O3S
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| Molecular Weight |
517.01
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| Canonical SMILES |
COc1cc(ccc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cc(C)cc(Cl)c1
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| InChI |
InChI=1S/C27H21ClN4O3S/c1-17-11-20(13-21(28)12-17)18-3-5-24(25(15-18)35-2)27-23-6-4-22(14-19(23)7-10-30-27)36(33,34)32-26-8-9-29-16-31-26/h3-16H,1-2H3,(H,29,31,32)
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| InChIKey |
RDSKWQBHFSAFPT-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