General Information of the Compound
| Compound ID |
CP0449108
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| Compound Name |
4-(2,5-Dihydroxy-benzylamino)-2-hydroxy-benzoic acid methyl ester
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| Structure |
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| Formula |
C15H15NO5
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| Molecular Weight |
289.287
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| Canonical SMILES |
COC(=O)c1ccc(NCc2cc(O)ccc2O)cc1O
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| InChI |
InChI=1S/C15H15NO5/c1-21-15(20)12-4-2-10(7-14(12)19)16-8-9-6-11(17)3-5-13(9)18/h2-7,16-19H,8H2,1H3
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| InChIKey |
UKKCCABWWBKWOE-UHFFFAOYSA-N
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| CAS |
151391-92-3
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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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic