General Information of the Compound
| Compound ID |
CP0572601
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| Compound Name |
1-[4-(diethylamino)piperidin-1-yl]-4-(2,4-difluorophenyl)butane-1,4-dione
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| Formula |
C19H26F2N2O2
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| Molecular Weight |
352.425
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| Canonical SMILES |
CCN(CC)C1CCN(CC1)C(=O)CCC(=O)c1ccc(F)cc1F
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| InChI |
InChI=1S/C19H26F2N2O2/c1-3-22(4-2)15-9-11-23(12-10-15)19(25)8-7-18(24)16-6-5-14(20)13-17(16)21/h5-6,13,15H,3-4,7-12H2,1-2H3
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| InChIKey |
NAOQXLVMJBUKLO-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