General Information of the Compound
| Compound ID |
CP0514374
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| Compound Name |
1-(4-ethylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C30H35NO2
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| Molecular Weight |
441.615
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| Canonical SMILES |
CCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H35NO2/c1-2-24-15-17-25(18-16-24)29(32)14-9-21-31-22-19-28(20-23-31)30(33,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28,33H,2,9,14,19-23H2,1H3
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| InChIKey |
PUNWCEDDQDAMTK-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