General Information of the Compound
| Compound ID |
CP0460599
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| Compound Name |
4-(6-(3,5-dichlorophenoxy)-5- (difluoromethyl)-3-pyridinyl)- 3-methoxy-N- (methylsulfonyl)benzamide
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| Structure |
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| Formula |
C21H16Cl2F2N2O5S
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| Molecular Weight |
517.337
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(c1)C(F)F)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H16Cl2F2N2O5S/c1-31-18-6-11(20(28)27-33(2,29)30)3-4-16(18)12-5-17(19(24)25)21(26-10-12)32-15-8-13(22)7-14(23)9-15/h3-10,19H,1-2H3,(H,27,28)
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| InChIKey |
WIBVLJJJUJRQFE-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