General Information of the Compound
| Compound ID |
CP0559530
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| Compound Name |
(4R)-4-[2-(4-methylpiperazin-1-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 |
C24H25F3N4O3S2
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| Molecular Weight |
538.617
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| Canonical SMILES |
CN1CCN(CC1)c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C24H25F3N4O3S2/c1-30-8-10-31(11-9-30)21-14-16(24(25,26)27)2-4-19(21)18-6-12-34-22-15-17(3-5-20(18)22)36(32,33)29-23-28-7-13-35-23/h2-5,7,13-15,18H,6,8-12H2,1H3,(H,28,29)/t18-/m1/s1
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| InChIKey |
XOKHNIWKPBYBRC-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