General Information of the Compound
Compound ID
CP0560461
Compound Name
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-4-oxo-1-pentoxyazetidin-3-yl]carbamate
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Structure
Formula
C20H36N2O4
Molecular Weight
368.518
Canonical SMILES
CCCCCON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O
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InChI
InChI=1S/C20H36N2O4/c1-3-4-9-15-26-22-16(2)18(19(22)23)21-20(24)25-14-10-8-13-17-11-6-5-7-12-17/h16-18H,3-15H2,1-2H3,(H,21,24)/t16-,18-/m0/s1
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InChIKey
HZORLALBMGHSCI-WMZOPIPTSA-N
Physicochemical Property
logP
4.1843
Rotatable Bonds
11
Heavy Atom Count
26
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 137640265
ChEMBL ID
CHEMBL4070087
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 = 387 nM
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