General Information of the Compound
Compound ID
CP0514748
Compound Name
3-(3-(2-aminopyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)-N-(2,6-difluorophenyl)benzamide
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Structure
Formula
C24H16F2N6O
Molecular Weight
442.429
Canonical SMILES
Nc1nccc(n1)-c1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1c(F)cccc1F
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InChI
InChI=1S/C24H16F2N6O/c25-16-7-4-8-17(26)21(16)31-23(33)15-6-3-5-14(13-15)20-22(18-10-11-28-24(27)29-18)32-12-2-1-9-19(32)30-20/h1-13H,(H,31,33)(H2,27,28,29)
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InChIKey
CXJXRPHNFJSDRE-UHFFFAOYSA-N
Physicochemical Property
logP
4.571
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
98.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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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PubChem ID
CID: 44571766
ChEMBL ID
CHEMBL513227
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 > 30000 nM
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