General Information of the Compound
| Compound ID |
CP0511014
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[6-(1-naphthyl)hexyl]piperazine
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| Structure |
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| Formula |
C33H45FN4
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| Molecular Weight |
516.749
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCCCCc2cccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H45FN4/c1-35-19-25-38(26-20-35)33(30-14-16-31(34)17-15-30)27-37-23-21-36(22-24-37)18-7-3-2-4-9-28-11-8-12-29-10-5-6-13-32(28)29/h5-6,8,10-17,33H,2-4,7,9,18-27H2,1H3
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| InChIKey |
ZPBDIJQSZTYFIY-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