General Information of the Compound
| Compound ID |
CP0460600
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| Compound Name |
4-(5-cyano-6-(3,5- dichlorophenoxy)-3-pyridinyl)- 3-methoxy-N- (methylsulfonyl)benzamide
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| Structure |
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| Formula |
C21H15Cl2N3O5S
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| Molecular Weight |
492.34
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| Canonical SMILES |
COc1cc(ccc1-c1cnc(Oc2cc(Cl)cc(Cl)c2)c(c1)C#N)C(=O)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H15Cl2N3O5S/c1-30-19-6-12(20(27)26-32(2,28)29)3-4-18(19)14-5-13(10-24)21(25-11-14)31-17-8-15(22)7-16(23)9-17/h3-9,11H,1-2H3,(H,26,27)
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| InChIKey |
IMPGUFQVHAXJGI-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