General Information of the Compound
Compound ID
CP0343136
Compound Name
5-[2-fluoro-4-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
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Formula
C23H22FN7O
Molecular Weight
431.475
Canonical SMILES
CN(Cc1ccc2nccn2c1)c1nnc(o1)-c1ccc(cc1F)-c1c(C)nn(C)c1C
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InChI
InChI=1S/C23H22FN7O/c1-14-21(15(2)30(4)28-14)17-6-7-18(19(24)11-17)22-26-27-23(32-22)29(3)12-16-5-8-20-25-9-10-31(20)13-16/h5-11,13H,12H2,1-4H3
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InChIKey
OSSQCGAASUFADY-UHFFFAOYSA-N
Physicochemical Property
logP
4.17714
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
77.28
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
32

"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
CHEMBL4849757
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 > 100000 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 = 3162.28 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1258.93 nM