General Information of the Compound
Compound ID
CP0575031
Compound Name
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C20H16F3NO3S
Molecular Weight
407.413
Canonical SMILES
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C20H16F3NO3S/c21-20(22,23)16-6-12-19(13-7-16)28(25,26)24-17-8-10-18(11-9-17)27-14-15-4-2-1-3-5-15/h1-13,24H,14H2
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InChIKey
BVVLBNHUDGFSRX-UHFFFAOYSA-N
Physicochemical Property
logP
5.0852
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 166627714
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 = 1770 nM
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