General Information of the Compound
Compound ID
CP0393793
Compound Name
(2R)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methylpyridin-4-yl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
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Structure
Formula
C22H22FN5O
Molecular Weight
391.45
Canonical SMILES
C[C@@H](O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1
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InChI
InChI=1S/C22H22FN5O/c1-13-4-5-17(23)16(8-13)20-9-19(14(2)10-25-20)26-18-6-7-24-21-12-28(11-15(3)29)27-22(18)21/h4-10,12,15,29H,11H2,1-3H3,(H,25,26)/t15-/m1/s1
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InChIKey
VYMNGUXXARQKJB-OAHLLOKOSA-N
Physicochemical Property
logP
4.37364
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
75.86
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: 137652574
ChEMBL ID
CHEMBL4077146
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 = 158.49 nM
   TI
   LI
   LO
   TS
CL000187 Calu-6 Homo sapiens (Human)  1
1
EC50 = 501.19 nM
   TI
   LI
   LO
   TS