General Information of the Compound
Compound ID
CP0293480
Compound Name
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
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Structure
Formula
C24H15F4N3O2S2
Molecular Weight
517.529
Canonical SMILES
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F
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InChI
InChI=1S/C24H15F4N3O2S2/c25-17-2-5-19(6-3-17)31-23-8-1-15(11-16(23)13-29-31)21-7-4-18(12-22(21)24(26,27)28)30-35(32,33)20-9-10-34-14-20/h1-14,30H
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InChIKey
YDGNXSOLWOOFRO-UHFFFAOYSA-N
Physicochemical Property
logP
6.7127
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 46832515
SID: 99210401
ChEMBL ID
CHEMBL1082780
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)  2
1
EC50 = 251.19 nM
   TI
   LI
   LO
   TS
2
IC50 = 100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12.59 nM