General Information of the Compound
Compound ID
CP0494304
Compound Name
2-[4-[3-(imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
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Structure
Formula
C17H15N9O
Molecular Weight
361.369
Canonical SMILES
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4nccn4c3)c2n1
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InChI
InChI=1S/C17H15N9O/c27-6-5-25-11-13(7-20-25)14-8-19-16-17(21-14)26(23-22-16)10-12-1-2-15-18-3-4-24(15)9-12/h1-4,7-9,11,27H,5-6,10H2
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InChIKey
HNVLBGNNYXOXLM-UHFFFAOYSA-N
Physicochemical Property
logP
0.7731
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
111.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Complexity
27

"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: 54759543
SID: 131523706
ChEMBL ID
CHEMBL3334550
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 = 33 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM