General Information of the Compound
Compound ID
CP0433290
Compound Name
6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
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Structure
Formula
C19H15N7
Molecular Weight
341.378
Canonical SMILES
Cn1cc(cn1)-c1cnc2ncn(Cc3ccc4ncccc4c3)c2n1
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InChI
InChI=1S/C19H15N7/c1-25-11-15(8-23-25)17-9-21-18-19(24-17)26(12-22-18)10-13-4-5-16-14(7-13)3-2-6-20-16/h2-9,11-12H,10H2,1H3
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InChIKey
IUWFAMFUGQUBJD-UHFFFAOYSA-N
Physicochemical Property
logP
2.8233
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
74.31
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: 86566650
ChEMBL ID
CHEMBL3334553
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 = 120 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 9.9 nM
2 IC50 = 96 nM