General Information of the Compound
Compound ID
CP0264214
Compound Name
(4-propoxyphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C14H18N2O4
Molecular Weight
278.308
Canonical SMILES
CCCOc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
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InChI
InChI=1S/C14H18N2O4/c1-2-7-19-11-5-3-10(4-6-11)9-20-14(18)16-12-8-15-13(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
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InChIKey
YPMNHNKWLFDHSJ-LBPRGKRZSA-N
Physicochemical Property
logP
1.2
Rotatable Bonds
6
Heavy Atom Count
20
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 90425119
ChEMBL ID
CHEMBL3769689
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)  2
1
IC50 = 48 nM
   TI
   LI
   LO
   TS
2
IC50 = 250 nM
   TI
   LI
   LO
   TS