General Information of the Compound
| Compound ID |
CP0069379
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| Compound Name |
CHEMBL4101437
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| Formula |
C23H26ClFN4O2S2
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| Molecular Weight |
509.072
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| Canonical SMILES |
N[C@H]1CC[C@@](CCNc2cc(F)c(cc2Cl)S(=O)(=O)Nc2nccs2)(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H26ClFN4O2S2/c24-18-14-21(33(30,31)29-22-28-12-13-32-22)19(25)15-20(18)27-11-10-23(8-6-17(26)7-9-23)16-4-2-1-3-5-16/h1-5,12-15,17,27H,6-11,26H2,(H,28,29)/t17-,23-
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| InChIKey |
ANLVMSBBWJNZSY-QBNMFFNISA-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