General Information of the Compound
| Compound ID |
CP0422495
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| Compound Name |
US9051311, 18
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| Structure |
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| Formula |
C23H21F3N4O3S2
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| Molecular Weight |
522.574
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)C1=CCOCC1)-c1cccc2CN(CCc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C23H21F3N4O3S2/c24-23(25,26)17-4-5-20(21(12-17)15-7-10-33-11-8-15)19-3-1-2-16-13-30(9-6-18(16)19)35(31,32)29-22-27-14-28-34-22/h1-5,7,12,14H,6,8-11,13H2,(H,27,28,29)
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| InChIKey |
GYSVWDCKZQZVGQ-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