General Information of the Compound
Compound ID
CP0922178
Compound Name
3-(1-((1H-indol-2-yl)methyl)piperidin-4-yl)-5-(quinolin-2-yl)oxazolidin-2-one
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Structure
Formula
C26H26N4O2
Molecular Weight
426.52
Canonical SMILES
O=C1OC(c2ccc3ccccc3n2)CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1
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InChI
InChI=1S/C26H26N4O2/c31-26-30(17-25(32-26)24-10-9-18-5-1-3-7-22(18)28-24)21-11-13-29(14-12-21)16-20-15-19-6-2-4-8-23(19)27-20/h1-10,15,21,25,27H,11-14,16-17H2
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InChIKey
QWIGSVRSLFXCCC-UHFFFAOYSA-N
Physicochemical Property
logP
4.874
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
61.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44439846
ChEMBL ID
CHEMBL393722
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: PT03816, C-C chemokine receptor type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 < 50118.72 nM
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