General Information of the Compound
Compound ID
CP0567727
Compound Name
3-hydroxy-5-(quinolin-2-ylmethoxy)benzoic acid
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Structure
Formula
C17H13NO4
Molecular Weight
295.294
Canonical SMILES
OC(=O)c1cc(O)cc(OCc2ccc3ccccc3n2)c1
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InChI
InChI=1S/C17H13NO4/c19-14-7-12(17(20)21)8-15(9-14)22-10-13-6-5-11-3-1-2-4-16(11)18-13/h1-9,19H,10H2,(H,20,21)
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InChIKey
NZKXAZWSFCTSTG-UHFFFAOYSA-N
Physicochemical Property
logP
3.2176
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
79.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

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PubChem ID
CID: 168276623
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 20000 nM
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