General Information of the Compound
Compound ID
CP0234761
Compound Name
2-[7-[[2-(5-chloro-2-fluorophenyl)pyridin-4-yl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
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Structure
Formula
C19H14ClFN6O
Molecular Weight
396.813
Canonical SMILES
NC(=O)Cn1cc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c2n1
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InChI
InChI=1S/C19H14ClFN6O/c20-11-1-2-14(21)13(7-11)16-8-12(3-5-23-16)25-15-4-6-24-17-9-27(10-18(22)28)26-19(15)17/h1-9H,10H2,(H2,22,28)(H,23,25)
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InChIKey
XOVIZSKBBMSMQJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5147
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).

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PubChem ID
CID: 54670034
SID: 131466417
ChEMBL ID
CHEMBL4067488
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 = 100 nM
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