General Information of the Compound
Compound ID
CP0574646
Compound Name
(3S,4R)-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-(4-methoxyphenyl)pyrrolidin-2-one
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Structure
Formula
C19H17ClN4O3
Molecular Weight
384.823
Canonical SMILES
COc1ccc(cc1)[C@@H]1CNC(=O)[C@H]1Nc1nnc(o1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C19H17ClN4O3/c1-26-14-8-4-11(5-9-14)15-10-21-17(25)16(15)22-19-24-23-18(27-19)12-2-6-13(20)7-3-12/h2-9,15-16H,10H2,1H3,(H,21,25)(H,22,24)/t15-,16-/m0/s1
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InChIKey
UGLXXDFFURYRHA-HOTGVXAUSA-N
Physicochemical Property
logP
3.0927
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
89.28
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 168295559
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: PT02590, N-formyl peptide receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 160 nM
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