General Information of the Compound
| Compound ID |
CP0559858
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| Compound Name |
(4R)-4-[2-(2-methyl-1,3-oxazol-4-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 |
C23H18F3N3O4S2
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| Molecular Weight |
521.542
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| Canonical SMILES |
Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1nccs1)C(F)(F)F
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| InChI |
InChI=1S/C23H18F3N3O4S2/c1-13-28-20(12-33-13)19-10-14(23(24,25)26)2-4-16(19)17-6-8-32-21-11-15(3-5-18(17)21)35(30,31)29-22-27-7-9-34-22/h2-5,7,9-12,17H,6,8H2,1H3,(H,27,29)/t17-/m1/s1
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| InChIKey |
KQWOBWMNPNSGDQ-QGZVFWFLSA-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