General Information of the Compound
Compound ID
CP0962023
Compound Name
5-(3-Hydroxy-4-oxo-1,4-dihydroquinolin-2-yl)-2-morpholinobenzoic Acid
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Structure
Formula
C20H18N2O5
Molecular Weight
366.373
Canonical SMILES
O=C(O)c1cc(-c2[nH]c3ccccc3c(=O)c2O)ccc1N1CCOCC1
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InChI
InChI=1S/C20H18N2O5/c23-18-13-3-1-2-4-15(13)21-17(19(18)24)12-5-6-16(14(11-12)20(25)26)22-7-9-27-10-8-22/h1-6,11,24H,7-10H2,(H,21,23)(H,25,26)
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InChIKey
REYDOWUGQFICLN-UHFFFAOYSA-N
Physicochemical Property
logP
2.4355
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
102.86
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 137640276
ChEMBL ID
CHEMBL4070348
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: PT05442, Elongation factor 1-alpha 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ka = 97.18173 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 50000 nM
   TI
   LI
   LO
   TS
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
IC50 = 49560 nM
   TI
   LI
   LO
   TS
CL000719 BJ [Human fibroblast] Homo sapiens (Human)  1
1
IC50 = 50000 nM
   TI
   LI
   LO
   TS