General Information of the Compound
| Compound ID |
CP0419078
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| Compound Name |
4-Methoxy-N-{3-[4-(3,4-dichlorophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
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| Structure |
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| Formula |
C20H25Cl2N3O3S
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| Molecular Weight |
458.411
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H25Cl2N3O3S/c1-28-17-4-6-18(7-5-17)29(26,27)23-9-2-10-24-11-13-25(14-12-24)16-3-8-19(21)20(22)15-16/h3-8,15,23H,2,9-14H2,1H3
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| InChIKey |
NZGMILZJNCIQFE-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