General Information of the Compound
| Compound ID |
CP0515068
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| Compound Name |
4-[4-(3-ethyl-4-hydroxyphenyl)phenyl]-2,2-dimethyl-4-oxo-N-(pyridin-3-ylmethyl)butanamide
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| Structure |
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| Formula |
C26H28N2O3
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| Molecular Weight |
416.521
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| Canonical SMILES |
CCc1cc(ccc1O)-c1ccc(cc1)C(=O)CC(C)(C)C(=O)NCc1cccnc1
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| InChI |
InChI=1S/C26H28N2O3/c1-4-19-14-22(11-12-23(19)29)20-7-9-21(10-8-20)24(30)15-26(2,3)25(31)28-17-18-6-5-13-27-16-18/h5-14,16,29H,4,15,17H2,1-3H3,(H,28,31)
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| InChIKey |
QFKKXYUVMGHZTB-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