General Information of the Compound
| Compound ID |
CP0537591
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| Compound Name |
2-(3-fluorophenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C18H18FN3O4
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| Molecular Weight |
359.357
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)N1CCN(CC1)C(=O)COc1cccc(F)c1
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| InChI |
InChI=1S/C18H18FN3O4/c19-14-3-1-6-17(11-14)26-13-18(23)21-9-7-20(8-10-21)15-4-2-5-16(12-15)22(24)25/h1-6,11-12H,7-10,13H2
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| InChIKey |
GXTLHQJZSRZNSD-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