General Information of the Compound
| Compound ID |
CP0560298
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| Compound Name |
(+/-)-1-(1-(4-fluorophenyl)-2-{4-[4-(1-naphthyl)butyl]piperazin-1-yl}ethyl)-4-propylpiperazine
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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 |
CCCN1CCN(CC1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H45FN4/c1-2-17-35-23-25-38(26-24-35)33(30-13-15-31(34)16-14-30)27-37-21-19-36(20-22-37)18-6-5-9-29-11-7-10-28-8-3-4-12-32(28)29/h3-4,7-8,10-16,33H,2,5-6,9,17-27H2,1H3
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| InChIKey |
PUOFIUKMNQWOPF-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