General Information of the Compound
Compound ID
CP0474324
Compound Name
N-[2-(2-fluoro-5-methylphenyl)-5-methylpyridin-4-yl]-1-methylpyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C20H18FN5
Molecular Weight
347.397
Canonical SMILES
Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
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InChI
InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
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InChIKey
CKZSWAJXGWJYKE-UHFFFAOYSA-N
Physicochemical Property
logP
4.52984
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
55.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 137652412
ChEMBL ID
CHEMBL4079857
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 = 6.31 nM
   TI
   LI
   LO
   TS
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 39.81 nM
   TI
   LI
   LO
   TS