General Information of the Compound
Compound ID
CP0278520
Compound Name
4-[1-(4-fluorophenyl)indazol-5-yl]phenol
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Structure
Formula
C19H13FN2O
Molecular Weight
304.324
Canonical SMILES
Oc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
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InChI
InChI=1S/C19H13FN2O/c20-16-4-6-17(7-5-16)22-19-10-3-14(11-15(19)12-21-22)13-1-8-18(23)9-2-13/h1-12,23H
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InChIKey
LZIXLNRSNIDKGZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5372
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
38.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 46831087
SID: 99208877
ChEMBL ID
CHEMBL1084344
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 630.96 nM