General Information of the Compound
| Compound ID |
CP0557942
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| Compound Name |
ethyl 3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]furan-2-yl]benzoate
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| Formula |
C19H24N2O5S
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| Molecular Weight |
392.477
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| Canonical SMILES |
CCOC(=O)c1cccc(c1)-c1ccc(CN2CCN(CC2)S(C)(=O)=O)o1
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| InChI |
InChI=1S/C19H24N2O5S/c1-3-25-19(22)16-6-4-5-15(13-16)18-8-7-17(26-18)14-20-9-11-21(12-10-20)27(2,23)24/h4-8,13H,3,9-12,14H2,1-2H3
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| InChIKey |
ASJGWXCQBDDFAR-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