General Information of the Compound
| Compound ID |
CP0562237
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| Compound Name |
4-(2-morpholino-4-(trifluoromethyl)phenyl)-N-(pyrimidin-4-yl)chroman-7-sulfonamide
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| Structure |
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| Formula |
C24H23F3N4O4S
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| Molecular Weight |
520.533
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| Canonical SMILES |
FC(F)(F)c1ccc([C@H]2CCOc3cc(ccc23)S(=O)(=O)Nc2ccncn2)c(c1)N1CCOCC1
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| InChI |
InChI=1S/C24H23F3N4O4S/c25-24(26,27)16-1-3-19(21(13-16)31-8-11-34-12-9-31)18-6-10-35-22-14-17(2-4-20(18)22)36(32,33)30-23-5-7-28-15-29-23/h1-5,7,13-15,18H,6,8-12H2,(H,28,29,30)/t18-/m1/s1
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| InChIKey |
KQJDXTLVXINOPH-GOSISDBHSA-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