General Information of the Compound
Compound ID
CP0257794
Compound Name
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[2-methoxy-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methyl-1,3,4-oxadiazol-2-amine
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Formula
C24H25N7O2
Molecular Weight
443.511
Canonical SMILES
COc1cc(ccc1-c1nnc(o1)N(C)Cc1ccc2nccn2c1)-c1c(C)nn(C)c1C
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InChI
InChI=1S/C24H25N7O2/c1-15-22(16(2)30(4)28-15)18-7-8-19(20(12-18)32-5)23-26-27-24(33-23)29(3)13-17-6-9-21-25-10-11-31(21)14-17/h6-12,14H,13H2,1-5H3
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InChIKey
POLOQBZTXAWWJT-UHFFFAOYSA-N
Physicochemical Property
logP
4.04664
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
86.51
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
CHEMBL4872116
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 = 39810.72 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 = 1995.26 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 794.33 nM