General Information of the Compound
| Compound ID |
CP0492345
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| Compound Name |
(3,5-dimethylphenyl)methyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C23H23NO5
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| Molecular Weight |
393.439
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| Canonical SMILES |
Cc1cc(C)cc(COC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)c1
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| InChI |
InChI=1S/C23H23NO5/c1-14-7-15(2)9-16(8-14)13-29-23(28)20-11-18(3-5-22(20)27)24-12-17-10-19(25)4-6-21(17)26/h3-11,24-27H,12-13H2,1-2H3
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| InChIKey |
VFBKLVOROFEVPG-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