General Information of the Compound
Compound ID
CP0547980
Compound Name
7-[[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
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Structure
Formula
C19H14ClFN6O
Molecular Weight
396.813
Canonical SMILES
CNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c12
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InChI
InChI=1S/C19H14ClFN6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26)
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InChIKey
LPQSQEQXYKNLJS-UHFFFAOYSA-N
Physicochemical Property
logP
4.2169
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
84.73
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).

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PubChem ID
CID: 54671350
SID: 131467834
ChEMBL ID
CHEMBL4063730
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 = 25.12 nM
   TI
   LI
   LO
   TS
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 63.1 nM
   TI
   LI
   LO
   TS