General Information of the Compound
Compound ID
CP0449577
Compound Name
4-chloro-N-[2-[4-[1-(methanesulfonamido)-2-methyl-1-oxopropan-2-yl]oxyphenyl]ethyl]benzamide
    Show/Hide
Structure
Formula
C20H23ClN2O5S
Molecular Weight
438.933
Canonical SMILES
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)NS(C)(=O)=O
    Show/Hide
InChI
InChI=1S/C20H23ClN2O5S/c1-20(2,19(25)23-29(3,26)27)28-17-10-4-14(5-11-17)12-13-22-18(24)15-6-8-16(21)9-7-15/h4-11H,12-13H2,1-3H3,(H,22,24)(H,23,25)
    Show/Hide
InChIKey
VKJKZTOFMLIMTB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5457
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
101.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 71458514
SID: 163539613
ChEMBL ID
CHEMBL2153842
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 68500 nM
   TI
   LI
   LO
   TS