General Information of the Compound
| Compound ID |
CP0444390
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| Compound Name |
1-(2-(4-(4-(4-fluorophenyl)piperazin-1-yl)butoxy)phenyl)-3-phenylpropan-1-one
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| Structure |
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| Formula |
C29H33FN2O2
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| Molecular Weight |
460.593
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| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CCCCOc2ccccc2C(=O)CCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H33FN2O2/c30-25-13-15-26(16-14-25)32-21-19-31(20-22-32)18-6-7-23-34-29-11-5-4-10-27(29)28(33)17-12-24-8-2-1-3-9-24/h1-5,8-11,13-16H,6-7,12,17-23H2
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| InChIKey |
WJYNUACBELMVND-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