General Information of the Compound
| Compound ID |
CP0547637
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| Compound Name |
US9051311, 58
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| Structure |
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| Formula |
C18H16F3N5O3S2
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| Molecular Weight |
471.486
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| Canonical SMILES |
COc1cc(ccc1-c1ncnc2CN(CCc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N5O3S2/c1-29-15-8-11(18(19,20)21)2-3-13(15)16-12-4-6-26(9-14(12)23-10-24-16)31(27,28)25-17-22-5-7-30-17/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,22,25)
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| InChIKey |
SSHUJNUARSWDGM-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