General Information of the Compound
| Compound ID |
CP0406835
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| Compound Name |
2-Hydroxy-5-(3-hydroxy-benzylamino)-benzoic acid methyl ester
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| Structure |
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| Formula |
C15H15NO4
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| Molecular Weight |
273.288
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| Canonical SMILES |
COC(=O)c1cc(NCc2cccc(O)c2)ccc1O
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| InChI |
InChI=1S/C15H15NO4/c1-20-15(19)13-8-11(5-6-14(13)18)16-9-10-3-2-4-12(17)7-10/h2-8,16-18H,9H2,1H3
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| InChIKey |
DZDBQPDXTQKHAR-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