General Information of the Compound
| Compound ID |
CP0555461
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| Compound Name |
ethyl 3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzoate
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| Formula |
C21H26N2O4S
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| Molecular Weight |
402.516
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(CN2CCN(CC2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C21H26N2O4S/c1-3-27-21(24)20-6-4-5-19(15-20)18-9-7-17(8-10-18)16-22-11-13-23(14-12-22)28(2,25)26/h4-10,15H,3,11-14,16H2,1-2H3
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| InChIKey |
HXMRIARGYGANBY-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