General Information of the Compound
Compound ID
CP0644899
Compound Name
N-(5-(2-(dimethylamino)ethoxy)pyridin-2-yl)-6-(1H-imidazo[4,5-b]pyridin-1-yl)pyrimidin-4-amine
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Structure
Formula
C19H20N8O
Molecular Weight
376.424
Canonical SMILES
CN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
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InChI
InChI=1S/C19H20N8O/c1-26(2)8-9-28-14-5-6-16(21-11-14)25-17-10-18(23-12-22-17)27-13-24-19-15(27)4-3-7-20-19/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23,25)
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InChIKey
YTWDOCYUHJCFCG-UHFFFAOYSA-N
Physicochemical Property
logP
2.2895
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
93.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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: 134132642
ChEMBL ID
CHEMBL3911352
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: PT05364, Heat shock factor protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 28 nM
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