General Information of the Compound
| Compound ID |
CP0123797
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| Compound Name |
4-[(2R,3R)-3-(3,5-dichlorophenyl)-6,6-dimethylmorpholin-2-yl]oxy-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H18Cl2F2N4O4S2
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| Molecular Weight |
551.424
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| Canonical SMILES |
CC1(C)CN[C@@H]([C@@H](Oc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)O1)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C20H18Cl2F2N4O4S2/c1-20(2)8-25-17(10-3-11(21)5-12(22)4-10)18(32-20)31-15-6-14(24)16(7-13(15)23)34(29,30)28-19-26-9-27-33-19/h3-7,9,17-18,25H,8H2,1-2H3,(H,26,27,28)/t17-,18+/m1/s1
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| InChIKey |
NASMQJIAKMAEMO-MSOLQXFVSA-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