General Information of the Compound
| Compound ID |
CP0081111
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| Compound Name |
1-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-2-pyrimidinyl-6-isoquinolinesulfonamide
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| Structure |
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| Formula |
C26H18ClFN4O3S
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| Molecular Weight |
520.973
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| Canonical SMILES |
COc1cc(c(Cl)cc1-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncccn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C26H18ClFN4O3S/c1-35-24-15-21(16-4-2-5-18(28)12-16)23(27)14-22(24)25-20-7-6-19(13-17(20)8-11-29-25)36(33,34)32-26-30-9-3-10-31-26/h2-15H,1H3,(H,30,31,32)
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| InChIKey |
DUWRTDJSNRFMAI-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