General Information of the Compound
| Compound ID |
CP0319375
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| Compound Name |
US9012443, 48
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| Structure |
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| Formula |
C26H21F3N4O2S
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| Molecular Weight |
510.541
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)C1=CCNCC1)-c1cccc2cc(ccc12)S(=O)(=O)Nc1ccncn1
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| InChI |
InChI=1S/C26H21F3N4O2S/c27-26(28,29)19-4-6-23(24(15-19)17-8-11-30-12-9-17)22-3-1-2-18-14-20(5-7-21(18)22)36(34,35)33-25-10-13-31-16-32-25/h1-8,10,13-16,30H,9,11-12H2,(H,31,32,33)
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| InChIKey |
BRVBNTMXWCBWKC-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