General Information of the Compound
Compound ID
CP0955405
Compound Name
3-((1-((1H-indol-2-yl)methyl)piperidin-3-yl)methyl)-5-(6-methoxyquinolin-4-yl)oxazolidin-2-one
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Structure
Formula
C28H30N4O3
Molecular Weight
470.573
Canonical SMILES
COc1ccc2nccc(C3CN(CC4CCCN(Cc5cc6ccccc6[nH]5)C4)C(=O)O3)c2c1
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InChI
InChI=1S/C28H30N4O3/c1-34-22-8-9-26-24(14-22)23(10-11-29-26)27-18-32(28(33)35-27)16-19-5-4-12-31(15-19)17-21-13-20-6-2-3-7-25(20)30-21/h2-3,6-11,13-14,19,27,30H,4-5,12,15-18H2,1H3
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InChIKey
OBRNQODSNCZSMH-UHFFFAOYSA-N
Physicochemical Property
logP
5.1302
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
70.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 44439840
ChEMBL ID
CHEMBL267032
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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   LI
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   TS