General Information of the Compound
Compound ID
CP0081501
Compound Name
N-[2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl]-1H-pyrazolo[4,3-b]pyridin-7-amine
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Structure
Formula
C18H13ClFN5
Molecular Weight
353.788
Canonical SMILES
Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(Cl)ccc1F
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InChI
InChI=1S/C18H13ClFN5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)
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InChIKey
OXSDTRSIBXBIJL-UHFFFAOYSA-N
Physicochemical Property
logP
4.86442
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
66.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 54670128
SID: 131466511
ChEMBL ID
CHEMBL4084771
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 = 31.62 nM
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