General Information of the Compound
| Compound ID |
CP0495068
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| Compound Name |
3-chloro-5-[4-[5-(cyclopropylmethylsulfonyl)-1H-1,2,4-triazol-3-yl]-2,5-difluorophenyl]-2-(2-methylpropoxy)pyridine
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| Structure |
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| Formula |
C21H21ClF2N4O3S
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| Molecular Weight |
482.94
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| Canonical SMILES |
CC(C)COc1ncc(cc1Cl)-c1cc(F)c(cc1F)-c1nnc([nH]1)S(=O)(=O)CC1CC1
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| InChI |
InChI=1S/C21H21ClF2N4O3S/c1-11(2)9-31-20-16(22)5-13(8-25-20)14-6-18(24)15(7-17(14)23)19-26-21(28-27-19)32(29,30)10-12-3-4-12/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,26,27,28)
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| InChIKey |
YAKUACDRCDWUNN-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