General Information of the Compound
| Compound ID |
CP0162106
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| Compound Name |
CHEMBL4091238
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| Formula |
C23H26F2N4O3S2
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| Molecular Weight |
508.616
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| Canonical SMILES |
CN[C@H]1CC[C@](CCOc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H26F2N4O3S2/c1-26-17-7-9-23(10-8-17,16-5-3-2-4-6-16)11-12-32-20-13-19(25)21(14-18(20)24)34(30,31)29-22-27-15-28-33-22/h2-6,13-15,17,26H,7-12H2,1H3,(H,27,28,29)/t17-,23+
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| InChIKey |
GVJVTZIRACSJPP-LBEPJEHYSA-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