General Information of the Compound
Compound ID
CP0466638
Compound Name
N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
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Structure
Formula
C13H16N2O2
Molecular Weight
232.283
Canonical SMILES
CC(=O)Nc1ccc(cc1)C(=O)N1CCCC1
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InChI
InChI=1S/C13H16N2O2/c1-10(16)14-12-6-4-11(5-7-12)13(17)15-8-2-3-9-15/h4-7H,2-3,8-9H2,1H3,(H,14,16)
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InChIKey
SEQARRPLSYHGNJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.881
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 3120528
ChEMBL ID
CHEMBL1498233
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: PT01037, Prolyl endopeptidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Ki > 30000 nM
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