General Information of the Compound
| Compound ID |
CP0495052
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| Compound Name |
US9012443, 509
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| Structure |
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| Formula |
C25H18FN5O4S
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| Molecular Weight |
503.515
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| Canonical SMILES |
COc1ccc(cc1-c1n[nH]c(=O)c2cc(ccc12)S(=O)(=O)Nc1ccncn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C25H18FN5O4S/c1-35-22-8-5-16(15-3-2-4-17(26)11-15)12-21(22)24-19-7-6-18(13-20(19)25(32)30-29-24)36(33,34)31-23-9-10-27-14-28-23/h2-14H,1H3,(H,30,32)(H,27,28,31)
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| InChIKey |
IYCGIOVRQXMKDM-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