General Information of the Compound
Compound ID
CP0356937
Compound Name
2-[4-[[4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridin-2-yl]amino]pyridin-2-yl]propan-2-ol
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Structure
Formula
C25H25N5O2
Molecular Weight
427.508
Canonical SMILES
CC(C)(O)c1cc(Nc2cc(Oc3cn(nc3-c3ccccc3)C3CC3)ccn2)ccn1
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InChI
InChI=1S/C25H25N5O2/c1-25(2,31)22-14-18(10-12-26-22)28-23-15-20(11-13-27-23)32-21-16-30(19-8-9-19)29-24(21)17-6-4-3-5-7-17/h3-7,10-16,19,31H,8-9H2,1-2H3,(H,26,27,28)
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InChIKey
QJHVUWWRZDHUHH-UHFFFAOYSA-N
Physicochemical Property
logP
5.4383
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
85.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
32

"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: 151595124
ChEMBL ID
CHEMBL4777871
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: PT04556, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
IC50 = 28.9 nM
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