General Information of the Compound
Compound ID
CP0445275
Compound Name
3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
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Structure
Formula
C28H27N3O4
Molecular Weight
469.541
Canonical SMILES
O=C(NC1CC1)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1
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InChI
InChI=1S/C28H27N3O4/c32-26(29-24-13-14-24)21-9-11-23(12-10-21)30-27(33)22-8-4-7-20(15-22)17-31-25(18-35-28(31)34)16-19-5-2-1-3-6-19/h1-12,15,24-25H,13-14,16-18H2,(H,29,32)(H,30,33)/t25-/m1/s1
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InChIKey
QUSSDNYXUHZONQ-RUZDIDTESA-N
Physicochemical Property
logP
4.3946
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 90469426
ChEMBL ID
CHEMBL3601091
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 = 1978 nM
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