General Information of the Compound
| Compound ID |
CP0523578
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| Compound Name |
3-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 |
CC(CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)c1ccccc1
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| InChI |
InChI=1S/C24H25NO5/c1-16(17-5-3-2-4-6-17)11-12-30-24(29)21-14-19(7-9-23(21)28)25-15-18-13-20(26)8-10-22(18)27/h2-10,13-14,16,25-28H,11-12,15H2,1H3
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| InChIKey |
WSXSZSYTJWAVLI-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