General Information of the Compound
Compound ID
CP0381363
Compound Name
(3-methoxyphenyl)-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
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Structure
Formula
C24H25N3O3
Molecular Weight
403.482
Canonical SMILES
COc1ccc-2c(NC3(CCN(CC3)C(=O)c3cccc(OC)c3)c3cccn-23)c1
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InChI
InChI=1S/C24H25N3O3/c1-29-18-6-3-5-17(15-18)23(28)26-13-10-24(11-14-26)22-7-4-12-27(22)21-9-8-19(30-2)16-20(21)25-24/h3-9,12,15-16,25H,10-11,13-14H2,1-2H3
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InChIKey
GYSNJAGOGHTHSY-UHFFFAOYSA-N
Physicochemical Property
logP
4.0515
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
55.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 53058099
ChEMBL ID
CHEMBL3322769
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: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4325 nM
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Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 280 nM
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   LI
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