General Information of the Compound
| Compound ID |
CP0179568
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| Compound Name |
1-(4-allylphenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C31H35NO2
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| Molecular Weight |
453.626
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| Canonical SMILES |
OC(C1CCN(CCCC(=O)c2ccc(CC=C)cc2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H35NO2/c1-2-10-25-16-18-26(19-17-25)30(33)15-9-22-32-23-20-29(21-24-32)31(34,27-11-5-3-6-12-27)28-13-7-4-8-14-28/h2-8,11-14,16-19,29,34H,1,9-10,15,20-24H2
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| InChIKey |
SJXXIFKOMSEXRL-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