General Information of the Compound
| Compound ID |
CP0123249
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| Compound Name |
4-[[(3R,4S)-4-(4-chloro-3-fluorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H18ClF3N4O3S2
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| Molecular Weight |
518.97
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| Canonical SMILES |
Fc1cc(ccc1Cl)[C@H]1CCNC[C@@H]1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H18ClF3N4O3S2/c21-14-2-1-11(5-15(14)22)13-3-4-25-8-12(13)9-31-18-6-17(24)19(7-16(18)23)33(29,30)28-20-26-10-27-32-20/h1-2,5-7,10,12-13,25H,3-4,8-9H2,(H,26,27,28)/t12-,13-/m1/s1
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| InChIKey |
VWHRVYJZRBRKQE-CHWSQXEVSA-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