General Information of the Compound
Compound ID
CP0495197
Compound Name
2,4,6-trichloro-N-[(2S)-1-quinolin-5-yloxypropan-2-yl]benzenesulfonamide
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Structure
Formula
C18H15Cl3N2O3S
Molecular Weight
445.755
Canonical SMILES
C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
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InChI
InChI=1S/C18H15Cl3N2O3S/c1-11(10-26-17-6-2-5-16-13(17)4-3-7-22-16)23-27(24,25)18-14(20)8-12(19)9-15(18)21/h2-9,11,23H,10H2,1H3/t11-/m0/s1
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InChIKey
SCKSPPPQUIFEJM-NSHDSACASA-N
Physicochemical Property
logP
4.9408
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 57651578
ChEMBL ID
CHEMBL3261177
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 = 2400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 80 nM