General Information of the Compound
Compound ID
CP0574321
Compound Name
N-[3-[(2S)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methyl-3-oxopropyl]phenyl]-4-(hexanoylamino)benzamide
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Structure
Formula
C33H37N3O5
Molecular Weight
555.675
Canonical SMILES
CCCCCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(C[C@H](C)C(=O)N2[C@H](Cc3ccccc3)COC2=O)c1
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InChI
InChI=1S/C33H37N3O5/c1-3-4-6-14-30(37)34-27-17-15-26(16-18-27)31(38)35-28-13-9-12-25(20-28)19-23(2)32(39)36-29(22-41-33(36)40)21-24-10-7-5-8-11-24/h5,7-13,15-18,20,23,29H,3-4,6,14,19,21-22H2,1-2H3,(H,34,37)(H,35,38)/t23-,29+/m0/s1
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InChIKey
MXGAPSURGHJIRP-MUAVYFROSA-N
Physicochemical Property
logP
6.2264
Rotatable Bonds
12
Heavy Atom Count
41
Polar Areas
104.81
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
41

"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: 122184721
ChEMBL ID
CHEMBL3601097
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 = 1922 nM
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