General Information of the Compound
| Compound ID |
CP0303023
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| Compound Name |
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
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| Structure |
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| Formula |
C20H24FN3O2
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| Molecular Weight |
357.429
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(CCc3ccc(F)cc3)CC2)cc1
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| InChI |
InChI=1S/C20H24FN3O2/c21-19-5-1-17(2-6-19)9-11-22-13-15-23(16-14-22)12-10-18-3-7-20(8-4-18)24(25)26/h1-8H,9-16H2
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| InChIKey |
PWBPFWFYORTXPP-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