General Information of the Compound
| Compound ID |
CP0529541
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| Compound Name |
4-Methoxy-N-{3-[4-(4-acetophenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
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| Structure |
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| Formula |
C22H29N3O4S
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| Molecular Weight |
431.558
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C22H29N3O4S/c1-18(26)19-4-6-20(7-5-19)25-16-14-24(15-17-25)13-3-12-23-30(27,28)22-10-8-21(29-2)9-11-22/h4-11,23H,3,12-17H2,1-2H3
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| InChIKey |
XCHYRYZHEDXDMU-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