General Information of the Compound
Compound ID
CP0039378
Compound Name
5-(2-ethoxyphenyl)-1-(4-fluorophenyl)indazole
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Structure
Formula
C21H17FN2O
Molecular Weight
332.378
Canonical SMILES
CCOc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1
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InChI
InChI=1S/C21H17FN2O/c1-2-25-21-6-4-3-5-19(21)15-7-12-20-16(13-15)14-23-24(20)18-10-8-17(22)9-11-18/h3-14H,2H2,1H3
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InChIKey
RESUKSBAYZBGEC-UHFFFAOYSA-N
Physicochemical Property
logP
5.2303
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 46830800
SID: 99208576
ChEMBL ID
CHEMBL1085110
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 = 501.19 nM