General Information of the Compound
| Compound ID |
CP0457496
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| Compound Name |
1-(4-bromophenyl)-4-(4-naphthalen-2-yloxybutyl)piperazine
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| Structure |
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| Formula |
C24H27BrN2O
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| Molecular Weight |
439.397
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| Canonical SMILES |
Brc1ccc(cc1)N1CCN(CCCCOc2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C24H27BrN2O/c25-22-8-10-23(11-9-22)27-16-14-26(15-17-27)13-3-4-18-28-24-12-7-20-5-1-2-6-21(20)19-24/h1-2,5-12,19H,3-4,13-18H2
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| InChIKey |
PHWGAEVYRCQNEM-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