General Information of the Compound
Compound ID
CP0880973
Compound Name
(3R,4S)-4-(4-methoxyphenyl)-1-phenyl-3-(3-(pyridin-3-yl)propyl)azetidin-2-one
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Structure
Formula
C24H24N2O2
Molecular Weight
372.468
Canonical SMILES
COc1ccc([C@@H]2[C@@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1
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InChI
InChI=1S/C24H24N2O2/c1-28-21-14-12-19(13-15-21)23-22(11-5-7-18-8-6-16-25-17-18)24(27)26(23)20-9-3-2-4-10-20/h2-4,6,8-10,12-17,22-23H,5,7,11H2,1H3/t22-,23-/m1/s1
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InChIKey
FSJVGFSWFAWCEC-DHIUTWEWSA-N
Physicochemical Property
logP
4.8172
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 15481172
ChEMBL ID
CHEMBL261595
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 243.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1090.5 nM
   TI
   LI
   LO
   TS