General Information of the Compound
Compound ID
CP0205662
Compound Name
6,7-dichloro-1-[2-[2-(morpholin-4-ylmethyl)-3-phenylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
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Structure
Formula
C26H28Cl2N4O3
Molecular Weight
515.441
Canonical SMILES
Clc1cc2ncc(=O)n(CC(=O)N3CCCC(C3CN3CCOCC3)c3ccccc3)c2cc1Cl
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InChI
InChI=1S/C26H28Cl2N4O3/c27-20-13-22-23(14-21(20)28)32(25(33)15-29-22)17-26(34)31-8-4-7-19(18-5-2-1-3-6-18)24(31)16-30-9-11-35-12-10-30/h1-3,5-6,13-15,19,24H,4,7-12,16-17H2
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InChIKey
KJBXOWKVXHJXGA-UHFFFAOYSA-N
Physicochemical Property
logP
3.8103
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
67.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 44449052
ChEMBL ID
CHEMBL256988
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: PT02463, Urotensin-2 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3 nM
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