General Information of the Compound
Compound ID
CP0460263
Compound Name
3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide
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Structure
Formula
C37H47N3O4
Molecular Weight
597.8
Canonical SMILES
CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1
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InChI
InChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1
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InChIKey
KUYBUYXZVCDEPQ-UUWRZZSWSA-N
Physicochemical Property
logP
8.1531
Rotatable Bonds
18
Heavy Atom Count
44
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
44

"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: 90469425
ChEMBL ID
CHEMBL3601090
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: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 = 6623 nM
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Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
EC50 > 100000 nM
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