General Information of the Compound
| Compound ID |
CP0526600
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| Compound Name |
(+/-)-1-(1-(4-fluorophenyl)-2-{4-[4-(1-naphthyl)butyl]-piperazin-1-yl}ethyl)-4-phenylpiperazine
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| Structure |
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| Formula |
C36H43FN4
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| Molecular Weight |
550.766
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| Canonical SMILES |
Fc1ccc(cc1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C36H43FN4/c37-33-18-16-32(17-19-33)36(41-27-25-40(26-28-41)34-13-2-1-3-14-34)29-39-23-21-38(22-24-39)20-7-6-10-31-12-8-11-30-9-4-5-15-35(30)31/h1-5,8-9,11-19,36H,6-7,10,20-29H2
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| InChIKey |
KNBPAEKLDLQFCP-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