General Information of the Compound
Compound ID
CP0399845
Compound Name
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-4-oxo-1-propoxyazetidin-3-yl]carbamate
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Structure
Formula
C18H32N2O4
Molecular Weight
340.464
Canonical SMILES
CCCON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O
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InChI
InChI=1S/C18H32N2O4/c1-3-12-24-20-14(2)16(17(20)21)19-18(22)23-13-8-7-11-15-9-5-4-6-10-15/h14-16H,3-13H2,1-2H3,(H,19,22)/t14-,16-/m0/s1
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InChIKey
WFZGIZXFLVDFTD-HOCLYGCPSA-N
Physicochemical Property
logP
3.4041
Rotatable Bonds
9
Heavy Atom Count
24
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 137662244
ChEMBL ID
CHEMBL4097278
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 = 133 nM
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