General Information of the Compound
Compound ID
CP0379531
Compound Name
3-[4-[2-oxo-6,8-dipropyl-4-(trifluoromethyl)chromen-7-yl]oxybutyl]-1,3-oxazolidin-2-one
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Structure
Formula
C23H28F3NO5
Molecular Weight
455.473
Canonical SMILES
CCCc1cc2c(cc(=O)oc2c(CCC)c1OCCCCN1CCOC1=O)C(F)(F)F
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InChI
InChI=1S/C23H28F3NO5/c1-3-7-15-13-17-18(23(24,25)26)14-19(28)32-21(17)16(8-4-2)20(15)30-11-6-5-9-27-10-12-31-22(27)29/h13-14H,3-12H2,1-2H3
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InChIKey
CLTFJECANIYRTE-UHFFFAOYSA-N
Physicochemical Property
logP
5.328
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
68.98
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 118729957
ChEMBL ID
CHEMBL3403689
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: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2200 nM
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