General Information of the Compound
Compound ID
CP0405266
Compound Name
2-[7-[[2-(2,5-difluorophenyl)pyridin-4-yl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
    Show/Hide
Structure
Formula
C19H14F2N6O
Molecular Weight
380.358
Canonical SMILES
NC(=O)Cn1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
    Show/Hide
InChI
InChI=1S/C19H14F2N6O/c20-11-1-2-14(21)13(7-11)16-8-12(3-5-23-16)26-15-4-6-24-17-9-25-27(19(15)17)10-18(22)28/h1-9H,10H2,(H2,22,28)(H,23,24,26)
    Show/Hide
InChIKey
TXIVBLWKCYZWRM-UHFFFAOYSA-N
Physicochemical Property
logP
3.0004
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
98.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 54670694
SID: 131467114
ChEMBL ID
CHEMBL4089166
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
CL000907 CellSensor SBE-bla HEK 293T Homo sapiens (Human)  1
1
EC50 = 199.53 nM
   TI
   LI
   LO
   TS
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 1258.93 nM
   TI
   LI
   LO
   TS