General Information of the Compound
Compound ID
CP0913677
Compound Name
N-(4-(trifluoromethyl)benzyl)-2-(N-(2-ethylphenyl)-4-methylphenylsulfonamido)acetamide
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Structure
Formula
C25H25F3N2O3S
Molecular Weight
490.547
Canonical SMILES
CCc1ccccc1N(CC(=O)NCc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)cc1
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InChI
InChI=1S/C25H25F3N2O3S/c1-3-20-6-4-5-7-23(20)30(34(32,33)22-14-8-18(2)9-15-22)17-24(31)29-16-19-10-12-21(13-11-19)25(26,27)28/h4-15H,3,16-17H2,1-2H3,(H,29,31)
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InChIKey
BTQDIETWFYABAG-UHFFFAOYSA-N
Physicochemical Property
logP
5.08792
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 44439614
ChEMBL ID
CHEMBL240457
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: PT01205, Prostaglandin E2 receptor EP1 subtype
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 208.93 nM
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