General Information of the Compound
Compound ID
CP0490429
Compound Name
5-phenylpentyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C15H20N2O3
Molecular Weight
276.336
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCCCCCc1ccccc1
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InChI
InChI=1S/C15H20N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)(H,17,19)/t13-/m0/s1
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InChIKey
OEVOEGBCHFGXBX-ZDUSSCGKSA-N
Physicochemical Property
logP
1.624
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 86282212
ChEMBL ID
CHEMBL3770549
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: PT02713, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 298 nM
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