General Information of the Compound
| Compound ID |
CP0504915
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| Compound Name |
3-[[4-(4-fluoro-2-methylphenyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
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| Structure |
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| Formula |
C22H27FN2
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| Molecular Weight |
338.47
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| Canonical SMILES |
Cc1cc(F)ccc1C1CCN(CC2Cc3ccccc3CN2)CC1
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| InChI |
InChI=1S/C22H27FN2/c1-16-12-20(23)6-7-22(16)17-8-10-25(11-9-17)15-21-13-18-4-2-3-5-19(18)14-24-21/h2-7,12,17,21,24H,8-11,13-15H2,1H3
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| InChIKey |
YLRVVUNTBVYUEG-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: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2