General Information of the Compound
| Compound ID |
CP0445967
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| Compound Name |
5-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-ylnaphthalene-2-sulfonamide
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| Structure |
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| Formula |
C22H16F3N3O3S
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| Molecular Weight |
459.449
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| Canonical SMILES |
COc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
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| InChI |
InChI=1S/C22H16F3N3O3S/c1-31-20-13-15(22(23,24)25)6-8-19(20)18-5-2-4-14-12-16(7-9-17(14)18)32(29,30)28-21-26-10-3-11-27-21/h2-13H,1H3,(H,26,27,28)
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| InChIKey |
XFRLPIMGOMZXNS-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