General Information of the Compound
| Compound ID |
CP0526807
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| Compound Name |
4-Methoxy-N-{3-[4-(p-fluorophenyl)-piperazin-1-yl]-1-methyl-propyl}-benzenesulfonamide
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| Structure |
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| Formula |
C21H28FN3O3S
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| Molecular Weight |
421.538
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NC(C)CCN1CCN(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H28FN3O3S/c1-17(23-29(26,27)21-9-7-20(28-2)8-10-21)11-12-24-13-15-25(16-14-24)19-5-3-18(22)4-6-19/h3-10,17,23H,11-16H2,1-2H3
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| InChIKey |
DYKKTQJWQWWKPU-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