General Information of the Compound
Compound ID
CP0540377
Compound Name
2-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-5-(1,3,5-trimethylpyrazol-4-yl)benzonitrile
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Formula
C24H22N8O
Molecular Weight
438.495
Canonical SMILES
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1C#N)-c1c(C)nn(C)c1C
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InChI
InChI=1S/C24H22N8O/c1-15-22(16(2)31(4)29-15)18-6-7-20(19(11-18)12-25)23-27-28-24(33-23)30(3)13-17-5-8-21-26-9-10-32(21)14-17/h5-11,14H,13H2,1-4H3
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InChIKey
WEVMJKHQEUHONY-UHFFFAOYSA-N
Physicochemical Property
logP
3.90972
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
101.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
33

"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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ChEMBL ID
CHEMBL4877912
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: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 79432.82 nM
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM