General Information of the Compound
| Compound ID |
CP0519756
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| Compound Name |
4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine
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| Structure |
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| Formula |
C25H32BrNO4
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| Molecular Weight |
490.438
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| Canonical SMILES |
COCCOc1cc(CC2CCN(CCc3ccc4OCCOc4c3)CC2)ccc1Br
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| InChI |
InChI=1S/C25H32BrNO4/c1-28-12-13-30-24-18-21(2-4-22(24)26)16-20-7-10-27(11-8-20)9-6-19-3-5-23-25(17-19)31-15-14-29-23/h2-5,17-18,20H,6-16H2,1H3
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| InChIKey |
LPYINDBJLYCCGF-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter