General Information of the Compound
| Compound ID |
CP0420644
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| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
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| Structure |
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| Formula |
C22H28BrNO2
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| Molecular Weight |
418.375
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| Canonical SMILES |
COc1ccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)cc1
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| InChI |
InChI=1S/C22H28BrNO2/c1-25-20-5-3-17(4-6-20)9-12-24-13-10-18(11-14-24)15-19-16-21(26-2)7-8-22(19)23/h3-8,16,18H,9-15H2,1-2H3
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| InChIKey |
JZMJEIJWBRTMLR-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