General Information of the Compound
| Compound ID |
CP0948497
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine tri hydrochloride
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| Structure |
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| Formula |
C32H43ClFN3
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| Molecular Weight |
524.168
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| Canonical SMILES |
CN1CCC(C(CN2CCN(CCCCc3cccc4ccccc34)CC2)c2ccc(F)cc2)CC1.Cl
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| InChI |
InChI=1S/C32H42FN3.ClH/c1-34-19-16-29(17-20-34)32(28-12-14-30(33)15-13-28)25-36-23-21-35(22-24-36)18-5-4-8-27-10-6-9-26-7-2-3-11-31(26)27;/h2-3,6-7,9-15,29,32H,4-5,8,16-25H2,1H3;1H
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| InChIKey |
UDSBJNLEKLBKQC-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