General Information of the Compound
Compound ID
CP0381755
Compound Name
4,5-Dimethyl-2-[(4-morpholinylcarbonyl)amino]benzoic Acid
    Show/Hide
Structure
Formula
C14H18N2O4
Molecular Weight
278.308
Canonical SMILES
Cc1cc(NC(=O)N2CCOCC2)c(cc1C)C(O)=O
    Show/Hide
InChI
InChI=1S/C14H18N2O4/c1-9-7-11(13(17)18)12(8-10(9)2)15-14(19)16-3-5-20-6-4-16/h7-8H,3-6H2,1-2H3,(H,15,19)(H,17,18)
    Show/Hide
InChIKey
LSEYSLVMBAJEOS-UHFFFAOYSA-N
Physicochemical Property
logP
1.86574
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10850200
SID: 15892416
ChEMBL ID
CHEMBL539926
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: PT02516, Multidrug resistance-associated protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000239 OV-2008 Homo sapiens (Human)  1
1
IC50 = 43400 nM
   TI
   LI
   LO
   TS