General Information of the Compound
| Compound ID |
CP0203311
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| Compound Name |
methyl 3-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoylamino]benzoate
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| Structure |
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| Formula |
C25H33NO4
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| Molecular Weight |
411.542
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1
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| InChI |
InChI=1S/C25H33NO4/c1-24(2,3)17-25(4,5)19-10-12-21(13-11-19)30-15-14-22(27)26-20-9-7-8-18(16-20)23(28)29-6/h7-13,16H,14-15,17H2,1-6H3,(H,26,27)
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| InChIKey |
FLLJXWXMLLAKKZ-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