General Information of the Compound
| Compound ID |
CP0475340
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| Compound Name |
methyl 4-methoxy-3-[[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]amino]benzoate
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| Structure |
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| Formula |
C25H33NO5
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| Molecular Weight |
427.541
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| Canonical SMILES |
COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
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| InChI |
InChI=1S/C25H33NO5/c1-24(2,3)16-25(4,5)18-9-11-19(12-10-18)31-15-22(27)26-20-14-17(23(28)30-7)8-13-21(20)29-6/h8-14H,15-16H2,1-7H3,(H,26,27)
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| InChIKey |
MHYUTDIUXARMRO-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