General Information of the Compound
| Compound ID |
CP0408067
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| Compound Name |
3-amino-4-(2-chloro-3'-fluoro-5-methoxy-4-biphenylyl)-N-3-isoxazolyl-7-cinnolinesulfonamide
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| Structure |
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| Formula |
C24H17ClFN5O4S
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| Molecular Weight |
525.949
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| Canonical SMILES |
COc1cc(c(Cl)cc1-c1c(N)nnc2cc(ccc12)S(=O)(=O)Nc1ccon1)-c1cccc(F)c1
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| InChI |
InChI=1S/C24H17ClFN5O4S/c1-34-21-12-17(13-3-2-4-14(26)9-13)19(25)11-18(21)23-16-6-5-15(10-20(16)28-29-24(23)27)36(32,33)31-22-7-8-35-30-22/h2-12H,1H3,(H2,27,29)(H,30,31)
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| InChIKey |
QBWNJYLTWMVCJV-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