General Information of the Compound
| Compound ID |
CP0869879
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| Compound Name |
(E)-3-(2-Chlorophenyl)-1-[4-(4-fluorobenzyl)piperazin-1-yl]-propenone
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| Structure |
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| Formula |
C20H20ClFN2O
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| Molecular Weight |
358.844
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| Canonical SMILES |
O=C(/C=C/c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+
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| InChIKey |
RMDYFILMTQCLCQ-JXMROGBWSA-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