General Information of the Compound
Compound ID
CP0553510
Compound Name
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-yl-N-quinolin-3-ylpropanamide
    Show/Hide
Formula
C21H20N4O3
Molecular Weight
376.416
Canonical SMILES
CC(C)N(C(=O)CCc1nc(no1)-c1ccoc1)c1cnc2ccccc2c1
    Show/Hide
InChI
InChI=1S/C21H20N4O3/c1-14(2)25(17-11-15-5-3-4-6-18(15)22-12-17)20(26)8-7-19-23-21(24-28-19)16-9-10-27-13-16/h3-6,9-14H,7-8H2,1-2H3
    Show/Hide
InChIKey
DMEYHUGNLPKXTH-UHFFFAOYSA-N
Physicochemical Property
logP
4.252
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
85.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
28

"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
ChEMBL ID
CHEMBL4858814
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000135 A2780ADR Homo sapiens (Human)  1
1
IC50 = 17700 nM
   TI
   LI
   LO
   TS