General Information of the Compound
Compound ID
CP0542346
Compound Name
N-(4-carbamimidoylphenyl)-2-oxopiperidine-3-carboxamide
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Structure
Formula
C13H16N4O2
Molecular Weight
260.297
Canonical SMILES
NC(=N)c1ccc(NC(=O)C2CCCNC2=O)cc1
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InChI
InChI=1S/C13H16N4O2/c14-11(15)8-3-5-9(6-4-8)17-13(19)10-2-1-7-16-12(10)18/h3-6,10H,1-2,7H2,(H3,14,15)(H,16,18)(H,17,19)
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InChIKey
IZWNURHHAQZXMJ-UHFFFAOYSA-N
Physicochemical Property
logP
0.43537
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
108.07
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 155532630
ChEMBL ID
CHEMBL4467450
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: PT02568, Kallikrein-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10000 nM
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