General Information of the Compound
| Compound ID |
CP0451831
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| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
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| Structure |
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| Formula |
C23H30BrNO3
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| Molecular Weight |
448.401
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| Canonical SMILES |
COc1ccc(Br)c(CC2CCN(CCc3ccc(OC)c(OC)c3)CC2)c1
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| InChI |
InChI=1S/C23H30BrNO3/c1-26-20-5-6-21(24)19(16-20)14-18-9-12-25(13-10-18)11-8-17-4-7-22(27-2)23(15-17)28-3/h4-7,15-16,18H,8-14H2,1-3H3
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| InChIKey |
NFHCKKZNGNFTBJ-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