General Information of the Compound
| Compound ID |
CP0559531
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| Compound Name |
N-(6-fluoropyridin-2-yl)-4-(2-morpholino-4-(trifluoromethyl)phenyl)chroman-7-sulfonamide
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| Structure |
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| Formula |
C25H23F4N3O4S
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| Molecular Weight |
537.535
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| Canonical SMILES |
Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)n1
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| InChI |
InChI=1S/C25H23F4N3O4S/c26-23-2-1-3-24(30-23)31-37(33,34)17-5-7-20-18(8-11-36-22(20)15-17)19-6-4-16(25(27,28)29)14-21(19)32-9-12-35-13-10-32/h1-7,14-15,18H,8-13H2,(H,30,31)/t18-/m1/s1
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| InChIKey |
XYPYULMUTWWOKW-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