General Information of the Compound
Compound ID
CP0166917
Compound Name
N-(4-chlorophenyl)-5-[3-methyl-5-(quinolin-5-ylmethylamino)imidazol-4-yl]-1,3,4-oxadiazol-2-amine
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Structure
Formula
C22H18ClN7O
Molecular Weight
431.887
Canonical SMILES
Cn1cnc(NCc2cccc3ncccc23)c1-c1nnc(Nc2ccc(Cl)cc2)o1
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InChI
InChI=1S/C22H18ClN7O/c1-30-13-26-20(25-12-14-4-2-6-18-17(14)5-3-11-24-18)19(30)21-28-29-22(31-21)27-16-9-7-15(23)8-10-16/h2-11,13,25H,12H2,1H3,(H,27,29)
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InChIKey
FKYWSZYVHGDUPF-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).

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PubChem ID
CID: 44408850
ChEMBL ID
CHEMBL378165
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 = 3540 nM