General Information of the Compound
Compound ID
CP0134205
Compound Name
4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol
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Structure
Formula
C15H13N3O
Molecular Weight
251.289
Canonical SMILES
Cc1cccc(n1)-c1n[nH]cc1-c1ccc(O)cc1
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InChI
InChI=1S/C15H13N3O/c1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h2-9,19H,1H3,(H,16,18)
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InChIKey
YOLJORSLLBNCFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.15272
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
61.8
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 135470346
SID: 16120680
ChEMBL ID
CHEMBL118928
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
CL000271 Mv1Lu Neovison vison (American mink)  1
1
IC50 = 44 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 31 nM