General Information of the Compound
| Compound ID |
CP0526601
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-piperazin-1-ylethyl]-4-[4-(1-naphthyl)butyl]piperazine
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| Structure |
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| Formula |
C30H39FN4
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| Molecular Weight |
474.668
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| Canonical SMILES |
Fc1ccc(cc1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)N1CCNCC1
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| InChI |
InChI=1S/C30H39FN4/c31-28-13-11-27(12-14-28)30(35-18-15-32-16-19-35)24-34-22-20-33(21-23-34)17-4-3-7-26-9-5-8-25-6-1-2-10-29(25)26/h1-2,5-6,8-14,30,32H,3-4,7,15-24H2
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| InChIKey |
JEBZCEJQMHNUBU-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