General Information of the Compound
| Compound ID |
CP0407902
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| Compound Name |
ethyl 4-[5-[(4-acetyloxyphenyl)methoxyamino]-2-ethoxycarbonyl-5-oxopentyl]benzoate
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| Structure |
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| Formula |
C26H31NO8
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| Molecular Weight |
485.533
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| Canonical SMILES |
CCOC(=O)C(CCC(=O)NOCc1ccc(OC(C)=O)cc1)Cc1ccc(cc1)C(=O)OCC
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| InChI |
InChI=1S/C26H31NO8/c1-4-32-25(30)21-10-6-19(7-11-21)16-22(26(31)33-5-2)12-15-24(29)27-34-17-20-8-13-23(14-9-20)35-18(3)28/h6-11,13-14,22H,4-5,12,15-17H2,1-3H3,(H,27,29)
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| InChIKey |
LPANGVCMKDFBSH-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