General Information of the Compound
| Compound ID |
CP0527086
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| Compound Name |
1-[3-[1-(benzenesulfonyl)cyclobutyl]propyl]-4-methylpiperazine
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| Structure |
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| Formula |
C18H28N2O2S
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| Molecular Weight |
336.501
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| Canonical SMILES |
CN1CCN(CCCC2(CCC2)S(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C18H28N2O2S/c1-19-13-15-20(16-14-19)12-6-11-18(9-5-10-18)23(21,22)17-7-3-2-4-8-17/h2-4,7-8H,5-6,9-16H2,1H3
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| InChIKey |
ZDYKFVPSFFUZJG-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