General Information of the Compound
Compound ID
CP0348745
Compound Name
phenyl 4-[[(3S)-2-oxooxetan-3-yl]carbamoyl]benzoate
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Structure
Formula
C17H13NO5
Molecular Weight
311.293
Canonical SMILES
O=C(N[C@H]1COC1=O)c1ccc(cc1)C(=O)Oc1ccccc1
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InChI
InChI=1S/C17H13NO5/c19-15(18-14-10-22-17(14)21)11-6-8-12(9-7-11)16(20)23-13-4-2-1-3-5-13/h1-9,14H,10H2,(H,18,19)/t14-/m0/s1
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InChIKey
BHKHSOMTXCECSI-AWEZNQCLSA-N
Physicochemical Property
logP
1.561
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
81.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 46899636
SID: 99352953
ChEMBL ID
CHEMBL1214443
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 = 300 nM
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