General Information of the Compound
| Compound ID |
CP0520966
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| Compound Name |
(4R)-4-[2-(6-fluoropyridin-3-yl)-4-(trifluoromethyl)phenyl]-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide
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| Structure |
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| Formula |
C24H17F4N3O3S2
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| Molecular Weight |
535.544
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| Canonical SMILES |
Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C24H17F4N3O3S2/c25-22-6-1-14(13-30-22)20-11-15(24(26,27)28)2-4-17(20)18-7-9-34-21-12-16(3-5-19(18)21)36(32,33)31-23-29-8-10-35-23/h1-6,8,10-13,18H,7,9H2,(H,29,31)/t18-/m1/s1
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| InChIKey |
DKYUUKRMMHLYCZ-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