General Information of the Compound
| Compound ID |
CP0127510
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| Compound Name |
methyl 2-butoxy-5-[[2,5-diethoxy-4-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
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| Structure |
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| Formula |
C25H35N3O8S
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| Molecular Weight |
537.635
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| Canonical SMILES |
CCCCOc1ccc(NC(=O)NCc2cc(OCC)c(NS(C)(=O)=O)cc2OCC)cc1C(=O)OC
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| InChI |
InChI=1S/C25H35N3O8S/c1-6-9-12-36-21-11-10-18(14-19(21)24(29)33-4)27-25(30)26-16-17-13-23(35-8-3)20(28-37(5,31)32)15-22(17)34-7-2/h10-11,13-15,28H,6-9,12,16H2,1-5H3,(H2,26,27,30)
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| InChIKey |
PCLAUUIZRCPWAM-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