General Information of the Compound
Compound ID
CP0154796
Compound Name
N-(4-chlorophenyl)-5-[3-methyl-5-(quinolin-2-ylmethylamino)imidazol-4-yl]-1,3,4-oxadiazol-2-amine
    Show/Hide
Structure
Formula
C22H18ClN7O
Molecular Weight
431.887
Canonical SMILES
Cn1cnc(NCc2ccc3ccccc3n2)c1-c1nnc(Nc2ccc(Cl)cc2)o1
    Show/Hide
InChI
InChI=1S/C22H18ClN7O/c1-30-13-25-20(24-12-17-9-6-14-4-2-3-5-18(14)26-17)19(30)21-28-29-22(31-21)27-16-10-7-15(23)8-11-16/h2-11,13,24H,12H2,1H3,(H,27,29)
    Show/Hide
InChIKey
VFDRTXUIXBLCBJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.0274
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
93.69
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 44408845
ChEMBL ID
CHEMBL204718
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 10000 nM