General Information of the Compound
| Compound ID |
CP0505525
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| Compound Name |
4-phenylbutyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
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| Structure |
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| Formula |
C24H25NO5
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| Molecular Weight |
407.466
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| Canonical SMILES |
Oc1ccc(O)c(CNc2ccc(O)c(c2)C(=O)OCCCCc2ccccc2)c1
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| InChI |
InChI=1S/C24H25NO5/c26-20-10-12-22(27)18(14-20)16-25-19-9-11-23(28)21(15-19)24(29)30-13-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-12,14-15,25-28H,4-5,8,13,16H2
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| InChIKey |
NOUZMATVVALGPU-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