General Information of the Compound
| Compound ID |
CP0523358
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| Compound Name |
US9346798, 65
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| Structure |
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| Formula |
C22H21N7O3S2
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| Molecular Weight |
495.59
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| Canonical SMILES |
[N-]=[N+]=Nc1ccc(N2CCOc3cc(ccc23)S(=O)(=O)Nc2nccs2)c(c1)C1=CCNCC1
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| InChI |
InChI=1S/C22H21N7O3S2/c23-28-26-16-1-3-19(18(13-16)15-5-7-24-8-6-15)29-10-11-32-21-14-17(2-4-20(21)29)34(30,31)27-22-25-9-12-33-22/h1-5,9,12-14,24H,6-8,10-11H2,(H,25,27)
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| InChIKey |
YSNZMBYZTBLRKF-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