General Information of the Compound
Compound ID
CP0493468
Compound Name
7-[[2-(2,5-difluorophenyl)-5-methylpyridin-4-yl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
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Structure
Formula
C20H16F2N6O
Molecular Weight
394.385
Canonical SMILES
CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
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InChI
InChI=1S/C20H16F2N6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
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InChIKey
GKLQGFLTBRUPTD-UHFFFAOYSA-N
Physicochemical Property
logP
4.01102
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
84.73
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).

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PubChem ID
CID: 54671062
SID: 131467523
ChEMBL ID
CHEMBL4101751
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 = 19.95 nM
   TI
   LI
   LO
   TS
CL000907 CellSensor SBE-bla HEK 293T Homo sapiens (Human)  1
1
EC50 = 25.12 nM
   TI
   LI
   LO
   TS