General Information of the Compound
Compound ID
CP0563157
Compound Name
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methylpyridin-4-yl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
    Show/Hide
Structure
Formula
C21H19FN6O
Molecular Weight
390.422
Canonical SMILES
Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(CC(N)=O)nc23)c(C)cn1
    Show/Hide
InChI
InChI=1S/C21H19FN6O/c1-12-3-4-15(22)14(7-12)18-8-17(13(2)9-25-18)26-16-5-6-24-19-10-28(11-20(23)29)27-21(16)19/h3-10H,11H2,1-2H3,(H2,23,29)(H,25,26)
    Show/Hide
InChIKey
XVQAQEFIHMZUMY-UHFFFAOYSA-N
Physicochemical Property
logP
3.47814
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
98.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137649478
ChEMBL ID
CHEMBL4075798
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 251.19 nM
   TI
   LI
   LO
   TS