General Information of the Compound
| Compound ID |
CP0567906
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| Compound Name |
3-(quinolin-2-ylmethoxy)benzoic acid
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| Structure |
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| Formula |
C17H13NO3
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| Molecular Weight |
279.295
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| Canonical SMILES |
OC(=O)c1cccc(OCc2ccc3ccccc3n2)c1
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| InChI |
InChI=1S/C17H13NO3/c19-17(20)13-5-3-6-15(10-13)21-11-14-9-8-12-4-1-2-7-16(12)18-14/h1-10H,11H2,(H,19,20)
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| InChIKey |
IJTITQLHFRUEQF-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