General Information of the Compound
Compound ID
CP0294288
Compound Name
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]cyclopropanesulfonamide
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Structure
Formula
C25H24FN3O3S
Molecular Weight
465.55
Canonical SMILES
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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InChI
InChI=1S/C25H24FN3O3S/c1-17(28-33(30,31)23-12-13-23)25(18-5-3-2-4-6-18)32-22-11-14-24-19(15-22)16-27-29(24)21-9-7-20(26)8-10-21/h2-11,14-17,23,25,28H,12-13H2,1H3/t17-,25-/m0/s1
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InChIKey
JZASNJOSLMESTC-GKVSMKOHSA-N
Physicochemical Property
logP
4.755
Rotatable Bonds
8
Heavy Atom Count
33
Polar Areas
73.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 24953162
SID: 56250992
ChEMBL ID
CHEMBL3914142
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
CL000464 ChaGo-K-1 Homo sapiens (Human)  1
1
IC50 = 0.91 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM