General Information of the Compound
| Compound ID |
CP0418521
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| Compound Name |
4-Methoxy-N-{3-[4-(p-nitrophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
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| Structure |
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| Formula |
C20H26N4O5S
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| Molecular Weight |
434.518
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H26N4O5S/c1-29-19-7-9-20(10-8-19)30(27,28)21-11-2-12-22-13-15-23(16-14-22)17-3-5-18(6-4-17)24(25)26/h3-10,21H,2,11-16H2,1H3
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| InChIKey |
XGUBAZOFXNMZNE-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