General Information of the Compound
Compound ID
CP0560989
Compound Name
1-(2,4-difluorophenyl)-4-(8-ethyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)butane-1,4-dione
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Formula
C19H24F2N2O3
Molecular Weight
366.408
Canonical SMILES
CCN1CCC2(CC1)OCCN2C(=O)CCC(=O)c1ccc(F)cc1F
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InChI
InChI=1S/C19H24F2N2O3/c1-2-22-9-7-19(8-10-22)23(11-12-26-19)18(25)6-5-17(24)15-4-3-14(20)13-16(15)21/h3-4,13H,2,5-12H2,1H3
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InChIKey
XZFMBXRPCCDPTB-UHFFFAOYSA-N
Physicochemical Property
logP
2.5985
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
49.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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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ChEMBL ID
CHEMBL4754785
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: PT04108, Atypical chemokine receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
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