General Information of the Compound
| Compound ID |
CP0432828
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| Compound Name |
1-(4-butylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C32H39NO2
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| Molecular Weight |
469.669
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| Canonical SMILES |
CCCCc1ccc(cc1)C(=O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C32H39NO2/c1-2-3-11-26-17-19-27(20-18-26)31(34)16-10-23-33-24-21-30(22-25-33)32(35,28-12-6-4-7-13-28)29-14-8-5-9-15-29/h4-9,12-15,17-20,30,35H,2-3,10-11,16,21-25H2,1H3
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| InChIKey |
QGDPYJHGPFUYJB-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