General Information of the Compound
| Compound ID |
CP0549087
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| Compound Name |
methyl 5-[[2,5-diethoxy-4-(methanesulfonamido)phenyl]methylcarbamoylamino]-2-phenylmethoxybenzoate
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| Structure |
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| Formula |
C28H33N3O8S
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| Molecular Weight |
571.652
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| Canonical SMILES |
CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCc2ccccc2)c(c1)C(=O)OC
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| InChI |
InChI=1S/C28H33N3O8S/c1-5-37-25-16-23(31-40(4,34)35)26(38-6-2)14-20(25)17-29-28(33)30-21-12-13-24(22(15-21)27(32)36-3)39-18-19-10-8-7-9-11-19/h7-16,31H,5-6,17-18H2,1-4H3,(H2,29,30,33)
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| InChIKey |
ICQFRKCCKJETDT-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