General Information of the Compound
| Compound ID |
CP0388728
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| Compound Name |
2-methyl-5-[2-[4-[(3-pyrrolidin-1-ylphenyl)methyl]piperidin-1-yl]ethoxy]quinoline
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| Structure |
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| Formula |
C28H35N3O
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| Molecular Weight |
429.608
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| Canonical SMILES |
Cc1ccc2c(OCCN3CCC(Cc4cccc(c4)N4CCCC4)CC3)cccc2n1
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| InChI |
InChI=1S/C28H35N3O/c1-22-10-11-26-27(29-22)8-5-9-28(26)32-19-18-30-16-12-23(13-17-30)20-24-6-4-7-25(21-24)31-14-2-3-15-31/h4-11,21,23H,2-3,12-20H2,1H3
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| InChIKey |
UQEVOSZWLMVVJM-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