General Information of the Compound
| Compound ID |
CP0557142
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| Compound Name |
1-(2,4-difluorophenyl)-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]butane-1,4-dione
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| Structure |
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| Formula |
C18H25F2N3O2
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| Molecular Weight |
353.413
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)C(=O)CCC(=O)c1ccc(F)cc1F
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| InChI |
InChI=1S/C18H25F2N3O2/c1-21(2)7-8-22-9-11-23(12-10-22)18(25)6-5-17(24)15-4-3-14(19)13-16(15)20/h3-4,13H,5-12H2,1-2H3
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| InChIKey |
GWNADBFMOGTMLL-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