General Information of the Compound
| Compound ID |
CP0230236
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| Compound Name |
N-(6-cyclopropyl-7-((3,5-dichlorophenoxy)methyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanesulfonamide
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| Structure |
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| Formula |
C17H16Cl2N4O3S
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| Molecular Weight |
427.313
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| Canonical SMILES |
CS(=O)(=O)Nc1nnc2cc(COc3cc(Cl)cc(Cl)c3)c(cn12)C1CC1
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| InChI |
InChI=1S/C17H16Cl2N4O3S/c1-27(24,25)22-17-21-20-16-4-11(15(8-23(16)17)10-2-3-10)9-26-14-6-12(18)5-13(19)7-14/h4-8,10H,2-3,9H2,1H3,(H,21,22)
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| InChIKey |
DPIPLAYFRAXNRK-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: PT02267, Sodium channel protein type 1 subunit alpha
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha