General Information of the Compound
Compound ID
CP0373128
Compound Name
4-ethyl-N-[(3S)-2-oxooxetan-3-yl]benzamide
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Structure
Formula
C12H13NO3
Molecular Weight
219.24
Canonical SMILES
CCc1ccc(cc1)C(=O)N[C@H]1COC1=O
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InChI
InChI=1S/C12H13NO3/c1-2-8-3-5-9(6-4-8)11(14)13-10-7-16-12(10)15/h3-6,10H,2,7H2,1H3,(H,13,14)/t10-/m0/s1
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InChIKey
GIQXPIMDFPKFMR-JTQLQIEISA-N
Physicochemical Property
logP
0.9042
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 46899630
SID: 99352947
ChEMBL ID
CHEMBL1214388
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: PT03010, 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 = 102 nM
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