General Information of the Compound
| Compound ID |
CP0155825
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| Compound Name |
4-[[(3S,4R)-4-(4-chlorophenyl)piperidin-3-yl]methoxy]-2,5-difluoro-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C22H20ClF3N4O3S
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| Molecular Weight |
512.941
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| Canonical SMILES |
Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@@H]3CNCC[C@H]3c3ccc(Cl)cc3)cc2F)nc1
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| InChI |
InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m0/s1
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| InChIKey |
JLXFCNWPMMNUMM-YOEHRIQHSA-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