General Information of the Compound
| Compound ID |
CP0437854
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| Compound Name |
(3-hydroxyphenyl) 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C20H17NO6
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| Molecular Weight |
367.357
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| Canonical SMILES |
Oc1cccc(OC(=O)c2cc(NCc3cc(O)ccc3O)ccc2O)c1
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| InChI |
InChI=1S/C20H17NO6/c22-14-2-1-3-16(10-14)27-20(26)17-9-13(4-6-19(17)25)21-11-12-8-15(23)5-7-18(12)24/h1-10,21-25H,11H2
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| InChIKey |
NBSOGEPSWSTCKZ-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