General Information of the Compound
| Compound ID |
CP0453971
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| Compound Name |
tert-butyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C18H21NO5
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| Molecular Weight |
331.368
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| Canonical SMILES |
CC(C)(C)OC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
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| InChI |
InChI=1S/C18H21NO5/c1-18(2,3)24-17(23)14-9-12(4-6-16(14)22)19-10-11-8-13(20)5-7-15(11)21/h4-9,19-22H,10H2,1-3H3
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| InChIKey |
JOARRVKABNAADS-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