General Information of the Compound
| Compound ID |
CP0377823
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| Compound Name |
4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
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| Structure |
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| Formula |
C28H35N3O2
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| Molecular Weight |
445.607
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCOCC4)CC3)cccc2n1
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| InChI |
InChI=1S/C28H35N3O2/c1-22-8-9-26-27(29-22)6-3-7-28(26)33-19-14-30-12-10-23(11-13-30)20-24-4-2-5-25(21-24)31-15-17-32-18-16-31/h2-9,21,23H,10-20H2,1H3
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| InChIKey |
MADMFYSIRLKAHF-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