General Information of the Compound
Compound ID
CP0955404
Compound Name
3-(1-((1H-indol-2-yl)methyl)piperidin-4-yl)-5-(pyridin-4-yl)oxazolidin-2-one
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Structure
Formula
C22H24N4O2
Molecular Weight
376.46
Canonical SMILES
O=C1OC(c2ccncc2)CN1C1CCN(Cc2cc3ccccc3[nH]2)CC1
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InChI
InChI=1S/C22H24N4O2/c27-22-26(15-21(28-22)16-5-9-23-10-6-16)19-7-11-25(12-8-19)14-18-13-17-3-1-2-4-20(17)24-18/h1-6,9-10,13,19,21,24H,7-8,11-12,14-15H2
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InChIKey
AISCNYWNQDLEKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7208
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
61.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44439864
ChEMBL ID
CHEMBL440956
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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