General Information of the Compound
Compound ID
CP0474611
Compound Name
3-cyclohexylpropyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C13H22N2O3
Molecular Weight
254.33
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCCCC1CCCCC1
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InChI
InChI=1S/C13H22N2O3/c16-12-11(9-14-12)15-13(17)18-8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/m0/s1
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InChIKey
RAIRQNGKWHZABT-NSHDSACASA-N
Physicochemical Property
logP
1.5715
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 86282481
ChEMBL ID
CHEMBL3769455
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 = 44 nM
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