General Information of the Compound
| Compound ID |
CP0491023
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| Compound Name |
US9079902, 19
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| Structure |
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| Formula |
C24H20F3N7O2S2
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| Molecular Weight |
559.599
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| Canonical SMILES |
Cn1cc(-c2ccc(cc2-c2ccn(n2)C2CNC2)C(F)(F)F)c2ccc(cc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C24H20F3N7O2S2/c1-33-12-20(18-5-3-16(9-22(18)33)38(35,36)32-23-29-13-30-37-23)17-4-2-14(24(25,26)27)8-19(17)21-6-7-34(31-21)15-10-28-11-15/h2-9,12-13,15,28H,10-11H2,1H3,(H,29,30,32)
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| InChIKey |
RJDYTEIIPSCEMA-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