General Information of the Compound
Compound ID
CP0173587
Compound Name
N-[5-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
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Structure
Formula
C26H27FN6O3
Molecular Weight
490.539
Canonical SMILES
Cn1nccc1-c1ccn2c(cnc2c1)C(=O)Nc1cc(ccc1F)C(=O)NCC1CCC(C)(C)O1
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InChI
InChI=1S/C26H27FN6O3/c1-26(2)9-6-18(36-26)14-29-24(34)17-4-5-19(27)20(12-17)31-25(35)22-15-28-23-13-16(8-11-33(22)23)21-7-10-30-32(21)3/h4-5,7-8,10-13,15,18H,6,9,14H2,1-3H3,(H,29,34)(H,31,35)
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InChIKey
PBHJIDPAHROURF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8136
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
102.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 134151944
ChEMBL ID
CHEMBL3975580
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: PT05989, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 2.7 nM
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