General Information of the Compound
| Compound ID |
CP0052823
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| Compound Name |
4-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H21ClF2N4O3S2
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| Molecular Weight |
515.007
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| Canonical SMILES |
CN1CC[C@@H]([C@@H](COc2cc(F)c(cc2F)S(=O)(=O)Nc2ncns2)C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C21H21ClF2N4O3S2/c1-28-7-6-16(13-2-4-15(22)5-3-13)14(10-28)11-31-19-8-18(24)20(9-17(19)23)33(29,30)27-21-25-12-26-32-21/h2-5,8-9,12,14,16H,6-7,10-11H2,1H3,(H,25,26,27)/t14-,16-/m1/s1
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| InChIKey |
LDZNFFGWKHAEMM-GDBMZVCRSA-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