General Information of the Compound
| Compound ID |
CP0528138
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(2-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(CCc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H37FN4/c1-31-14-20-34(21-15-31)29(26-8-10-28(30)11-9-26)23-33-18-16-32(17-19-33)13-12-24-6-7-25-4-2-3-5-27(25)22-24/h2-11,22,29H,12-21,23H2,1H3
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| InChIKey |
LEKKRGFWNRBEDN-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