General Information of the Compound
| Compound ID |
CP0574526
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| Compound Name |
5-chloro-4-[[5-(4-chlorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H18Cl2FN3O3S2
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| Molecular Weight |
514.431
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| Canonical SMILES |
Fc1cc(OCC2NCCC=C2c2ccc(Cl)cc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C21H18Cl2FN3O3S2/c22-14-5-3-13(4-6-14)15-2-1-7-25-18(15)10-30-19-9-17(24)20(8-16(19)23)32(28,29)27-21-11-31-12-26-21/h2-6,8-9,11-12,18,25,27H,1,7,10H2
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| InChIKey |
ZGEDFOKWHGXOGG-UHFFFAOYSA-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