General Information of the Compound
| Compound ID |
CP0528137
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| Compound Name |
(+/-)-1-methyl-4-(2-{4-[4-(1-naphthyl)butyl]piperazin-1-yl}-1-phenylethyl)piperazine
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| Structure |
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| Formula |
C31H42N4
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| Molecular Weight |
470.705
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)c1ccccc1
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| InChI |
InChI=1S/C31H42N4/c1-32-18-24-35(25-19-32)31(29-12-3-2-4-13-29)26-34-22-20-33(21-23-34)17-8-7-11-28-15-9-14-27-10-5-6-16-30(27)28/h2-6,9-10,12-16,31H,7-8,11,17-26H2,1H3
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| InChIKey |
PPOPMJMQVHENPH-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