General Information of the Compound
| Compound ID |
CP0511721
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| Compound Name |
ethyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C16H17NO5
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| Molecular Weight |
303.314
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| Canonical SMILES |
CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
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| InChI |
InChI=1S/C16H17NO5/c1-2-22-16(21)13-8-11(3-5-15(13)20)17-9-10-7-12(18)4-6-14(10)19/h3-8,17-20H,2,9H2,1H3
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| InChIKey |
DAXUVEJLUCSOEI-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