General Information of the Compound
| Compound ID |
CP0448670
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| Compound Name |
benzyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C21H19NO5
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| Molecular Weight |
365.385
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| Canonical SMILES |
Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C21H19NO5/c23-17-7-9-19(24)15(10-17)12-22-16-6-8-20(25)18(11-16)21(26)27-13-14-4-2-1-3-5-14/h1-11,22-25H,12-13H2
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| InChIKey |
BSQWGVYJYBBQQV-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