General Information of the Compound
| Compound ID |
CP0569915
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| Compound Name |
2-[(3-butan-2-yloxyphenoxy)methyl]quinoline
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| Structure |
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| Formula |
C20H21NO2
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| Molecular Weight |
307.393
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| Canonical SMILES |
CCC(C)Oc1cccc(OCc2ccc3ccccc3n2)c1
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| InChI |
InChI=1S/C20H21NO2/c1-3-15(2)23-19-9-6-8-18(13-19)22-14-17-12-11-16-7-4-5-10-20(16)21-17/h4-13,15H,3,14H2,1-2H3
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| InChIKey |
QKGUZTWXBHOBQK-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1