General Information of the Compound
| Compound ID |
CP0526777
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| Compound Name |
4-Methoxy-N-{3-[4-(m-methoxyphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
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| Structure |
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| Formula |
C21H29N3O4S
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| Molecular Weight |
419.547
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)c1cccc(OC)c1
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| InChI |
InChI=1S/C21H29N3O4S/c1-27-19-7-9-21(10-8-19)29(25,26)22-11-4-12-23-13-15-24(16-14-23)18-5-3-6-20(17-18)28-2/h3,5-10,17,22H,4,11-16H2,1-2H3
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| InChIKey |
DKTSQWLFHCOXNJ-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