General Information of the Compound
Compound ID
CP0490426
Compound Name
(4-cyclohexyloxyphenyl)methyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C17H22N2O4
Molecular Weight
318.373
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCc1ccc(OC2CCCCC2)cc1
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InChI
InChI=1S/C17H22N2O4/c20-16-15(10-18-16)19-17(21)22-11-12-6-8-14(9-7-12)23-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H,18,20)(H,19,21)/t15-/m0/s1
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InChIKey
MOJQOEPYFWRNBJ-HNNXBMFYSA-N
Physicochemical Property
logP
2.1227
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
76.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 86281014
ChEMBL ID
CHEMBL3769503
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 = 2070 nM
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