General Information of the Compound
Compound ID
CP0404336
Compound Name
(4-propylphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C14H18N2O3
Molecular Weight
262.309
Canonical SMILES
CCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
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InChI
InChI=1S/C14H18N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/m0/s1
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InChIKey
WZZMEOMURMWLIR-LBPRGKRZSA-N
Physicochemical Property
logP
1.3637
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
67.43
Hydrogen Bond Donor Count
2
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: 86281539
ChEMBL ID
CHEMBL3770240
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 = 52 nM
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