General Information of the Compound
Compound ID
CP0466067
Compound Name
2-cyclopropyl-N-[3-(3,4-dichlorophenyl)propyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
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Structure
Formula
C18H20Cl2N2O3
Molecular Weight
383.275
Canonical SMILES
CN1C(C2CC2)C(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(O)C1=O
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InChI
InChI=1S/C18H20Cl2N2O3/c1-22-15(11-5-6-11)14(16(23)18(22)25)17(24)21-8-2-3-10-4-7-12(19)13(20)9-10/h4,7,9,11,15,23H,2-3,5-6,8H2,1H3,(H,21,24)
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InChIKey
QVZKDNBZHQDSIP-UHFFFAOYSA-N
Physicochemical Property
logP
3.1049
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
69.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 89489291
ChEMBL ID
CHEMBL4209554
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 = 88 nM
   TI
   LI
   LO
   TS
2
IC50 = 5290 nM
   TI
   LI
   LO
   TS