General Information of the Compound
Compound ID
CP0873261
Compound Name
N-(4-methoxyphenethyl)-2-(4-methyl-N-o-tolylphenylsulfonamido)acetamide
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Structure
Formula
C25H28N2O4S
Molecular Weight
452.576
Canonical SMILES
COc1ccc(CCNC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1
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InChI
InChI=1S/C25H28N2O4S/c1-19-8-14-23(15-9-19)32(29,30)27(24-7-5-4-6-20(24)2)18-25(28)26-17-16-21-10-12-22(31-3)13-11-21/h4-15H,16-18H2,1-3H3,(H,26,28)
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InChIKey
VMZOSQXXEJBANM-UHFFFAOYSA-N
Physicochemical Property
logP
3.86624
Rotatable Bonds
9
Heavy Atom Count
32
Polar Areas
75.71
Hydrogen Bond Donor Count
1
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: 2897583
ChEMBL ID
CHEMBL400422
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 = 169.82 nM
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   LI
   LO
   TS