General Information of the Compound
| Compound ID |
CP0385021
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| Compound Name |
US9051311, 13
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| Structure |
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| Formula |
C24H24F3N5O3S2
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| Molecular Weight |
551.616
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| Canonical SMILES |
C[N+]1([O-])CCC(=CC1)c1cc(ccc1-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C24H24F3N5O3S2/c1-32(33)11-8-16(9-12-32)22-13-18(24(25,26)27)5-6-21(22)20-4-2-3-17-14-31(10-7-19(17)20)37(34,35)30-23-28-15-29-36-23/h2-6,8,13,15H,7,9-12,14H2,1H3,(H,28,29,30)
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| InChIKey |
IMUYVWDPLGCJOK-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