General Information of the Compound
Compound ID
CP0404337
Compound Name
4-pyridin-2-ylbutyl N-[(3S)-2-oxoazetidin-3-yl]carbamate
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Structure
Formula
C13H17N3O3
Molecular Weight
263.297
Canonical SMILES
O=C(N[C@H]1CNC1=O)OCCCCc1ccccn1
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InChI
InChI=1S/C13H17N3O3/c17-12-11(9-15-12)16-13(18)19-8-4-2-6-10-5-1-3-7-14-10/h1,3,5,7,11H,2,4,6,8-9H2,(H,15,17)(H,16,18)/t11-/m0/s1
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InChIKey
UEEWIZVHLZUVLW-NSHDSACASA-N
Physicochemical Property
logP
0.6289
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 86282626
ChEMBL ID
CHEMBL3771150
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 = 30650 nM
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