General Information of the Compound
| Compound ID |
CP0458396
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| Compound Name |
4-[2-carboxy-5-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxyamino]-5-oxopentyl]benzoic acid
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| Structure |
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| Formula |
C18H19NO9
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| Molecular Weight |
393.348
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| Canonical SMILES |
Cc1oc(=O)oc1CONC(=O)CCC(Cc1ccc(cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C18H19NO9/c1-10-14(28-18(25)27-10)9-26-19-15(20)7-6-13(17(23)24)8-11-2-4-12(5-3-11)16(21)22/h2-5,13H,6-9H2,1H3,(H,19,20)(H,21,22)(H,23,24)
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| InChIKey |
JGEKXFKMOUJPSF-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