General Information of the Compound
| Compound ID |
CP0439613
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| Compound Name |
1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[3-(1-naphthyl)propyl]piperazine
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| Structure |
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| Formula |
C30H39FN4
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| Molecular Weight |
474.668
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCc2cccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H39FN4/c1-32-16-22-35(23-17-32)30(27-11-13-28(31)14-12-27)24-34-20-18-33(19-21-34)15-5-9-26-8-4-7-25-6-2-3-10-29(25)26/h2-4,6-8,10-14,30H,5,9,15-24H2,1H3
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| InChIKey |
BIJCCQFBBNTKIO-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