General Information of the Compound
Compound ID
CP0068632
Compound Name
5-cyclohexylpentyl N-[(2S,3R)-2-methyl-4-oxooxetan-3-yl]carbamate
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Structure
Formula
C16H27NO4
Molecular Weight
297.395
Canonical SMILES
C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
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InChI
InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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InChIKey
YPQGDZVBLUCGIC-GXTWGEPZSA-N
Physicochemical Property
logP
3.1672
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
64.63
Hydrogen Bond Donor Count
1
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: 73356786
ChEMBL ID
CHEMBL2419830
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 = 5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM