General Information of the Compound
| Compound ID |
CP0492153
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| Compound Name |
Benzyl-4-(4-methoxyphenyl sulfonylaminopropyl)-piperazine-1-carboxylate
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| Structure |
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| Formula |
C22H29N3O5S
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| Molecular Weight |
447.557
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)NCCCN1CCN(CC1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H29N3O5S/c1-29-20-8-10-21(11-9-20)31(27,28)23-12-5-13-24-14-16-25(17-15-24)22(26)30-18-19-6-3-2-4-7-19/h2-4,6-11,23H,5,12-18H2,1H3
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| InChIKey |
YUHQNLPCANLKGQ-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