General Information of the Compound
Compound ID
CP0383057
Compound Name
benzyl N-(2-oxocyclobutyl)carbamate
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Structure
Formula
C12H13NO3
Molecular Weight
219.24
Canonical SMILES
O=C(NC1CCC1=O)OCc1ccccc1
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InChI
InChI=1S/C12H13NO3/c14-11-7-6-10(11)13-12(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)
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InChIKey
JQPGQKRCEQTGHP-UHFFFAOYSA-N
Physicochemical Property
logP
1.6443
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: 11106853
SID: 16180140
ChEMBL ID
CHEMBL2064169
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 > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM