General Information of the Compound
| Compound ID |
CP0419799
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-ethyl]-4-[2-(1-naphthyl)ethyl]piperazine
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| Structure |
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| Formula |
C29H37FN4
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| Molecular Weight |
460.641
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCc2cccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H37FN4/c1-31-15-21-34(22-16-31)29(26-9-11-27(30)12-10-26)23-33-19-17-32(18-20-33)14-13-25-7-4-6-24-5-2-3-8-28(24)25/h2-12,29H,13-23H2,1H3
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| InChIKey |
RZPRCUSCBHXFID-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