General Information of the Compound
Compound ID
CP0464406
Compound Name
N-(4-hydroxyphenyl)-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
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Structure
Formula
C22H19F3N2O4S
Molecular Weight
464.465
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C22H19F3N2O4S/c1-15-5-11-20(12-6-15)32(30,31)27(18-4-2-3-16(13-18)22(23,24)25)14-21(29)26-17-7-9-19(28)10-8-17/h2-13,28H,14H2,1H3,(H,26,29)
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InChIKey
LIENZUYNESUWTH-UHFFFAOYSA-N
Physicochemical Property
logP
4.55342
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
86.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 127047332
ChEMBL ID
CHEMBL3797968
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: PT02663, Nuclear receptor ROR-gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 8340 nM
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