General Information of the Compound
| Compound ID |
CP0559382
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| Compound Name |
1-(4-(2,2-difluoroethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one
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| Structure |
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| Formula |
C30H33F2NO2
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| Molecular Weight |
477.595
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| Canonical SMILES |
OC(C1CCN(CCCC(=O)c2ccc(CC(F)F)cc2)CC1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C30H33F2NO2/c31-29(32)22-23-13-15-24(16-14-23)28(34)12-7-19-33-20-17-27(18-21-33)30(35,25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29,35H,7,12,17-22H2
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| InChIKey |
YMMLGNYBWKPZNI-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