General Information of the Compound
Compound ID
CP0010993
Compound Name
4-amino-6-[[(1S)-1-(6-fluoro-3-pyridin-2-ylimidazo[1,2-a]pyridin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
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Structure
Formula
C19H15FN8
Molecular Weight
374.383
Canonical SMILES
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccn1
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InChI
InChI=1S/C19H15FN8/c1-11(26-19-13(8-21)18(22)24-10-25-19)16-17(14-4-2-3-7-23-14)28-9-12(20)5-6-15(28)27-16/h2-7,9-11H,1H3,(H3,22,24,25,26)/t11-/m0/s1
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InChIKey
SPBIRWBQXBXNRK-NSHDSACASA-N
Physicochemical Property
logP
2.95238
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
117.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
28

"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: 53482520
SID: 126585228
ChEMBL ID
CHEMBL4761860
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: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 7920 nM
   TI
   LI
   LO
   TS