General Information of the Compound
| Compound ID |
CP0233820
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| Compound Name |
2-benzyl-6-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C23H23NO
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| Molecular Weight |
329.443
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2CN(Cc3ccccc3)CCc2c1
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| InChI |
InChI=1S/C23H23NO/c1-25-23-9-5-8-19(15-23)20-10-11-22-17-24(13-12-21(22)14-20)16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16-17H2,1H3
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| InChIKey |
BDECJFBHDUVJRU-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: PT01161, D(4) dopamine receptor
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT04903, Sigma intracellular receptor 2
Protein ID: PT00884, Sodium-dependent dopamine transporter