General Information of the Compound
Compound ID
CP0397834
Compound Name
4-cyclohexylbutyl N-[(2S,3S)-2-methyl-1-(3-methylsulfanylpropoxy)-4-oxoazetidin-3-yl]carbamate
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Structure
Formula
C19H34N2O4S
Molecular Weight
386.558
Canonical SMILES
CSCCCON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O
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InChI
InChI=1S/C19H34N2O4S/c1-15-17(18(22)21(15)25-13-8-14-26-2)20-19(23)24-12-7-6-11-16-9-4-3-5-10-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
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InChIKey
FBFFTNBWWDRPNC-RDJZCZTQSA-N
Physicochemical Property
logP
3.7472
Rotatable Bonds
11
Heavy Atom Count
26
Polar Areas
67.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137633578
ChEMBL ID
CHEMBL4066385
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 = 167 nM
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