General Information of the Compound
| Compound ID |
CP0387326
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| Compound Name |
3-chloro-5-[4-[5-(cyclopropylmethylsulfonyl)-1H-1,2,4-triazol-3-yl]-2,5-difluorophenyl]-2-[2-(trifluoromethyl)phenoxy]pyridine
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| Structure |
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| Formula |
C24H16ClF5N4O3S
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| Molecular Weight |
570.927
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| Canonical SMILES |
Fc1cc(c(F)cc1-c1nnc([nH]1)S(=O)(=O)CC1CC1)-c1cnc(Oc2ccccc2C(F)(F)F)c(Cl)c1
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| InChI |
InChI=1S/C24H16ClF5N4O3S/c25-17-7-13(10-31-22(17)37-20-4-2-1-3-16(20)24(28,29)30)14-8-19(27)15(9-18(14)26)21-32-23(34-33-21)38(35,36)11-12-5-6-12/h1-4,7-10,12H,5-6,11H2,(H,32,33,34)
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| InChIKey |
ARCUVPSLBZWKRK-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