General Information of the Compound
| Compound ID |
CP0393337
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| Compound Name |
1-(2-methoxyphenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine
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| Structure |
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| Formula |
C25H30N2O2
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| Molecular Weight |
390.527
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C25H30N2O2/c1-28-25-11-5-4-10-24(25)27-17-15-26(16-18-27)14-6-7-19-29-23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3
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| InChIKey |
QKFLRRKMULJOPR-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
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter