General Information of the Compound
Compound ID
CP0480000
Compound Name
N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
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Structure
Formula
C15H16Cl2N2O3
Molecular Weight
343.21
Canonical SMILES
CN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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InChI
InChI=1S/C15H16Cl2N2O3/c1-19-8-10(13(20)15(19)22)14(21)18-6-2-3-9-4-5-11(16)12(17)7-9/h4-5,7,20H,2-3,6,8H2,1H3,(H,18,21)
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InChIKey
KPHQEEFTMCYNAX-UHFFFAOYSA-N
Physicochemical Property
logP
2.3263
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 54704622
ChEMBL ID
CHEMBL4207216
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: PT01303, Endothelial lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  2
1
IC50 = 41 nM
   TI
   LI
   LO
   TS
2
IC50 = 1760 nM
   TI
   LI
   LO
   TS
Protein ID: PT02459, Hepatic triacylglycerol lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 76 nM
   TI
   LI
   LO
   TS
Protein ID: PT02150, Lipoprotein lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
IC50 > 37000 nM
   TI
   LI
   LO
   TS