General Information of the Compound
Compound ID
CP0548737
Compound Name
4-cyclohexylbutyl N-[(3S)-1-acetyl-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C16H26N2O4
Molecular Weight
310.394
Canonical SMILES
CC(=O)N1C[C@H](NC(=O)OCCCCC2CCCCC2)C1=O
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InChI
InChI=1S/C16H26N2O4/c1-12(19)18-11-14(15(18)20)17-16(21)22-10-6-5-9-13-7-3-2-4-8-13/h13-14H,2-11H2,1H3,(H,17,21)/t14-/m0/s1
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InChIKey
YFGQQEXFADUFBO-AWEZNQCLSA-N
Physicochemical Property
logP
2.2205
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137653979
ChEMBL ID
CHEMBL4093224
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 > 50000 nM
   TI
   LI
   LO
   TS