General Information of the Compound
| Compound ID |
CP0123263
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| Compound Name |
2,5-difluoro-4-[[(3R,4S)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H22F2N4O3S2
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| Molecular Weight |
480.562
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| Canonical SMILES |
Cc1ccc(cc1)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H22F2N4O3S2/c1-13-2-4-14(5-3-13)16-6-7-24-10-15(16)11-30-19-8-18(23)20(9-17(19)22)32(28,29)27-21-25-12-26-31-21/h2-5,8-9,12,15-16,24H,6-7,10-11H2,1H3,(H,25,26,27)/t15-,16-/m1/s1
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| InChIKey |
ZBELRVLBJKOYGL-HZPDHXFCSA-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