General Information of the Compound
| Compound ID |
CP0433382
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| Compound Name |
4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
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| Structure |
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| Formula |
C24H24N2O3
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| Molecular Weight |
388.467
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| Canonical SMILES |
CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CCC(=O)NCc1cccnc1
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| InChI |
InChI=1S/C24H24N2O3/c1-2-18-14-21(9-10-22(18)27)19-5-7-20(8-6-19)23(28)11-12-24(29)26-16-17-4-3-13-25-15-17/h3-10,13-15,27H,2,11-12,16H2,1H3,(H,26,29)
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| InChIKey |
VQDWYKLBGDZXFR-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