General Information of the Compound
| Compound ID |
CP0447089
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| Compound Name |
2-[2-[[4-(benzenesulfonyl)-2-methylpiperazin-1-yl]methyl]-4-chlorophenoxy]acetic acid
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| Structure |
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| Formula |
C20H23ClN2O5S
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| Molecular Weight |
438.933
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| Canonical SMILES |
CC1CN(CCN1Cc1cc(Cl)ccc1OCC(O)=O)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H23ClN2O5S/c1-15-12-23(29(26,27)18-5-3-2-4-6-18)10-9-22(15)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)
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| InChIKey |
KQVTZYFUHDWJOQ-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