General Information of the Compound
Compound ID
CP0479727
Compound Name
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxy]-4-oxoazetidin-3-yl]carbamate
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Structure
Formula
C19H34N2O4
Molecular Weight
354.491
Canonical SMILES
C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1OC(C)(C)C
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InChI
InChI=1S/C19H34N2O4/c1-14-16(17(22)21(14)25-19(2,3)4)20-18(23)24-13-9-8-12-15-10-6-5-7-11-15/h14-16H,5-13H2,1-4H3,(H,20,23)/t14-,16-/m0/s1
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InChIKey
HXXUOZGTXRDYCN-HOCLYGCPSA-N
Physicochemical Property
logP
3.7926
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 137635002
ChEMBL ID
CHEMBL4061422
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