General Information of the Compound
| Compound ID |
CP0081156
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| Compound Name |
1-[5-fluoro-2-methoxy-4-(3-methylphenyl)phenyl]-N-(1,2-oxazol-3-yl)isoquinoline-6-sulfonamide
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| Structure |
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| Formula |
C26H20FN3O4S
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| Molecular Weight |
489.528
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| Canonical SMILES |
COc1cc(c(F)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(C)c1
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| InChI |
InChI=1S/C26H20FN3O4S/c1-16-4-3-5-17(12-16)21-15-24(33-2)22(14-23(21)27)26-20-7-6-19(13-18(20)8-10-28-26)35(31,32)30-25-9-11-34-29-25/h3-15H,1-2H3,(H,29,30)
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| InChIKey |
OQXSFNORAJVFBM-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