General Information of the Compound
Compound ID
CP0447032
Compound Name
2-[5-(5-fluoroindazol-1-yl)pyridin-3-yl]propan-2-ol
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Structure
Formula
C15H14FN3O
Molecular Weight
271.295
Canonical SMILES
CC(C)(O)c1cncc(c1)-n1ncc2cc(F)ccc12
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InChI
InChI=1S/C15H14FN3O/c1-15(2,20)11-6-13(9-17-8-11)19-14-4-3-12(16)5-10(14)7-18-19/h3-9,20H,1-2H3
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InChIKey
OHSOVCDFCFAJFE-UHFFFAOYSA-N
Physicochemical Property
logP
2.787
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
50.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 118496547
ChEMBL ID
CHEMBL4091491
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 197 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10.9 nM
   TI
   LI
   LO
   TS