General Information of the Compound
Compound ID
CP0240435
Compound Name
4-[1-(4-fluorophenyl)indazol-5-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C23H19F4N3O2S
Molecular Weight
477.483
Canonical SMILES
CC(C)NS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
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InChI
InChI=1S/C23H19F4N3O2S/c1-14(2)29-33(31,32)19-8-9-20(21(12-19)23(25,26)27)15-3-10-22-16(11-15)13-28-30(22)18-6-4-17(24)5-7-18/h3-14,29H,1-2H3
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InChIKey
ZLLNZPHWDAFSSY-UHFFFAOYSA-N
Physicochemical Property
logP
5.5371
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 46831400
SID: 99209193
ChEMBL ID
CHEMBL1082837
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
IC50 = 1258.93 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12.59 nM