General Information of the Compound
| Compound ID |
CP0388730
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| Compound Name |
2-methyl-5-[2-[4-[(3-phenylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
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| Structure |
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| Formula |
C30H32N2O
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| Molecular Weight |
436.599
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)-c4ccccc4)CC3)cccc2n1
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| InChI |
InChI=1S/C30H32N2O/c1-23-13-14-28-29(31-23)11-6-12-30(28)33-20-19-32-17-15-24(16-18-32)21-25-7-5-10-27(22-25)26-8-3-2-4-9-26/h2-14,22,24H,15-21H2,1H3
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| InChIKey |
VGRLMXIRSMLELB-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D