General Information of the Compound
Compound ID
CP0417113
Compound Name
4-cyclohexylbutyl N-[(2S,3S)-1-hydroxy-2-methyl-4-oxoazetidin-3-yl]carbamate
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Structure
Formula
C15H26N2O4
Molecular Weight
298.383
Canonical SMILES
C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1O
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InChI
InChI=1S/C15H26N2O4/c1-11-13(14(18)17(11)20)16-15(19)21-10-6-5-9-12-7-3-2-4-8-12/h11-13,20H,2-10H2,1H3,(H,16,19)/t11-,13-/m0/s1
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InChIKey
DTAMCKZXVYDWPG-AAEUAGOBSA-N
Physicochemical Property
logP
2.4517
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
78.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 137645717
ChEMBL ID
CHEMBL4080757
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 = 47690 nM
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