General Information of the Compound
| Compound ID |
CP0165599
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| Compound Name |
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
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| Structure |
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| Formula |
C20H14Cl2FN5O3S
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| Molecular Weight |
494.335
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| Canonical SMILES |
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1ccncn1
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| InChI |
InChI=1S/C20H14Cl2FN5O3S/c1-28-16(4-7-26-28)13-8-12(21)2-3-17(13)31-18-10-15(23)19(9-14(18)22)32(29,30)27-20-5-6-24-11-25-20/h2-11H,1H3,(H,24,25,27)
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| InChIKey |
JUCACKLNHTWUCA-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