General Information of the Compound
| Compound ID |
CP0456069
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| Compound Name |
4-[[4-bromo-3-(2-methoxyethoxy)phenyl]methyl]-1-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
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| Structure |
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| Formula |
C26H34BrNO3
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| Molecular Weight |
488.466
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| Canonical SMILES |
COCCOc1cc(CC2CCN(CCc3ccc4OCCCc4c3)CC2)ccc1Br
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| InChI |
InChI=1S/C26H34BrNO3/c1-29-15-16-31-26-19-22(4-6-24(26)27)17-21-9-12-28(13-10-21)11-8-20-5-7-25-23(18-20)3-2-14-30-25/h4-7,18-19,21H,2-3,8-17H2,1H3
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| InChIKey |
FMQPPLSPODBXRQ-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