General Information of the Compound
| Compound ID |
CP0458395
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| Compound Name |
4-[5-[(4-acetyloxyphenyl)methoxyamino]-2-carboxy-5-oxopentyl]benzoic acid
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| Structure |
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| Formula |
C22H23NO8
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| Molecular Weight |
429.425
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| Canonical SMILES |
CC(=O)Oc1ccc(CONC(=O)CCC(Cc2ccc(cc2)C(O)=O)C(O)=O)cc1
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| InChI |
InChI=1S/C22H23NO8/c1-14(24)31-19-9-4-16(5-10-19)13-30-23-20(25)11-8-18(22(28)29)12-15-2-6-17(7-3-15)21(26)27/h2-7,9-10,18H,8,11-13H2,1H3,(H,23,25)(H,26,27)(H,28,29)
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| InChIKey |
UTJFFUXJKNKOPT-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