General Information of the Compound
Compound ID
CP0303786
Compound Name
5-(4-fluorophenyl)-3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine
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Structure
Formula
C18H12FN7
Molecular Weight
345.341
Canonical SMILES
Fc1ccc(cc1)-c1cnc2nnn(Cc3ccc4nccn4c3)c2n1
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InChI
InChI=1S/C18H12FN7/c19-14-4-2-13(3-5-14)15-9-21-17-18(22-15)26(24-23-17)11-12-1-6-16-20-7-8-25(16)10-12/h1-10H,11H2
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InChIKey
KSXMRXXLZBWMGB-UHFFFAOYSA-N
Physicochemical Property
logP
2.7234
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
73.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 68289004
ChEMBL ID
CHEMBL3334565
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000450 NCI-H441 Homo sapiens (Human)  1
1
IC50 = 12 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM