General Information of the Compound
| Compound ID |
CP0530961
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| Compound Name |
5-[4-[5-(azetidin-1-ylsulfonyl)-1H-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-chloro-2-(2-methylpropoxy)pyridine
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| Structure |
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| Formula |
C21H24ClN5O4S
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| Molecular Weight |
477.974
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(OCC(C)C)c(Cl)c1)-c1nnc([nH]1)S(=O)(=O)N1CCC1
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| InChI |
InChI=1S/C21H24ClN5O4S/c1-13(2)12-31-20-17(22)9-15(11-23-20)16-6-5-14(10-18(16)30-3)19-24-21(26-25-19)32(28,29)27-7-4-8-27/h5-6,9-11,13H,4,7-8,12H2,1-3H3,(H,24,25,26)
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| InChIKey |
KHGMUIWVIUCUBB-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