General Information of the Compound
Compound ID
CP0469981
Compound Name
[(E)-benzylideneamino] N-(4-ethoxyphenyl)carbamate
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Synonyms
Benzaldehyde O-4-ethoxyphenylcarbamoyl oxime
CHEMBL599470
benzaldehyde O-4-ethoxyphenylcarbamoyl oxime
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Structure
Formula
C16H16N2O3
Molecular Weight
284.315
Canonical SMILES
CCOc1ccc(NC(=O)O\N=C\c2ccccc2)cc1
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InChI
InChI=1S/C16H16N2O3/c1-2-20-15-10-8-14(9-11-15)18-16(19)21-17-12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,18,19)/b17-12+
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InChIKey
QJZVEQAWKFWLAR-SFQUDFHCSA-N
Physicochemical Property
logP
3.6679
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
59.92
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: 20872795
ChEMBL ID
CHEMBL599470
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 81 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Benzaldehyde O-4-ethoxyphenylcarbamoyl oxime )
Drug Name Benzaldehyde O-4-ethoxyphenylcarbamoyl oxime