General Information of the Compound
| Compound ID |
CP0474299
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| Compound Name |
4-[2-carboxy-5-(hydroxyamino)-5-oxopentyl]benzoic acid
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| Structure |
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| Formula |
C13H15NO6
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| Molecular Weight |
281.264
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| Canonical SMILES |
ONC(=O)CCC(Cc1ccc(cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)
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| InChIKey |
VUDGMYIWOPKVSL-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