General Information of the Compound
Compound ID
CP0900672
Compound Name
4-(4-Methoxyphenyl)-butyl-N-[(S)-2-oxoazetidin-3-yl]-carbamate
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Structure
Formula
C15H20N2O4
Molecular Weight
292.335
Canonical SMILES
COc1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
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InChI
InChI=1S/C15H20N2O4/c1-20-12-7-5-11(6-8-12)4-2-3-9-21-15(19)17-13-10-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
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InChIKey
SJNDCCZZPWVOCC-ZDUSSCGKSA-N
Physicochemical Property
logP
1.2425
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 86282485
ChEMBL ID
CHEMBL3770722
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 = 520 nM
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