Same Parent, Connectivity for PubChem Compound (Select 11978813) - PubChem Compound - NCBI

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Select item 119788131.

an image of a chemical structure CID 11978813

BREXPIPRAZOLE; 913611-97-9; Rexulti ...

MW:: 433.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2007-01-03

CID:: 11978813

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds PubMed (MeSH Keyword)

Select item 1178559642.

an image of a chemical structure CID 117855964

SCHEMBL16443119

MW:: 440.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 3,4,5,6,8-pentadeuterio-7-[4-[4-(5,7-dideuterio-1-benzothiop...

Create Date:: 2016-02-23

CID:: 117855964

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894290653.

an image of a chemical structure CID 89429065

SCHEMBL14764989

MW:: 443.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4-(5,7-dideuterio-1-benzo...

Create Date:: 2015-02-13

CID:: 89429065

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894290384.

an image of a chemical structure CID 89429038

SCHEMBL14764875

MW:: 446.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriop...

Create Date:: 2015-02-13

CID:: 89429038

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894290275.

an image of a chemical structure CID 89429027

SCHEMBL14764839

MW:: 446.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1,1,2,2,3,3,4,...

Create Date:: 2015-02-13

CID:: 89429027

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894290116.

an image of a chemical structure CID 89429011

SCHEMBL14764800

MW:: 438.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-3,4,5,6...

Create Date:: 2015-02-13

CID:: 89429011

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894290107.

an image of a chemical structure CID 89429010

SCHEMBL14764797

MW:: 454.700
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriop...

Create Date:: 2015-02-13

CID:: 89429010

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894289788.

an image of a chemical structure CID 89428978

Brexpiprazole-d8-1; Brexpiprazole-d8; 1427049-19-1 ...

MW:: 441.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1,1,2,2,3,3,4,...

Create Date:: 2015-02-13

CID:: 89428978

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 894289659.

an image of a chemical structure CID 89428965

SCHEMBL14764635

MW:: 435.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(5,7-dideuterio-1-benzothiophen-4-yl)piperazin-1-yl]...

Create Date:: 2015-02-13

CID:: 89428965

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 8942896410.

an image of a chemical structure CID 89428964

SCHEMBL14764634

MW:: 449.700
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriop...

Create Date:: 2015-02-13

CID:: 89428964

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 8942895311.

an image of a chemical structure CID 89428953

Brexpiprazole D8; Brexpiprazole-d8; 1427049-19-1 ...

MW:: 441.600
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)-2,2,3,3,5,5,6,6-octadeuteriop...

Create Date:: 2015-02-13

CID:: 89428953

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 8942894412.

an image of a chemical structure CID 89428944

SCHEMBL14764573

MW:: 448.700
MF:: C₂₅H₂₇N₃O₂S

IUPAC name:: 3,4,5,6,8-pentadeuterio-7-[1,1,2,2,3,3,4,4-octadeuterio-4-[4...

Create Date:: 2015-02-13

CID:: 89428944

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16833898413.

an image of a chemical structure CID 168338984

Brexpiprazole Catechol Co-crystal

MW:: 543.700
MF:: C₃₁H₃₃N₃O₄S

IUPAC name:: benzene-1,2-diol;7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-y...

Create Date:: 2023-06-28

CID:: 168338984

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16264119214.

an image of a chemical structure CID 162641192

Brexpiprazole-d8 (hydrochloride); HY-142249S

MW:: 478.100
MF:: C₂₅H₂₈ClN₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]-1,1,2,2,3,3,4,...

Create Date:: 2022-03-15

CID:: 162641192

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16198417515.

an image of a chemical structure CID 161984175

MW:: 495.600
MF:: C₂₆H₂₉N₃O₅S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 161984175

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16194022716.

an image of a chemical structure CID 161940227

MW:: 984.100
MF:: C₅₂H₆₀Cl₂N₆O₅S₂

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 161940227

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16167697817.

an image of a chemical structure CID 161676978

MW:: 1000.100
MF:: C₅₃H₆₄Cl₂N₆O₅S₂

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 161676978

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16147165018.

an image of a chemical structure CID 161471650

MW:: 583.700
MF:: C₂₉H₃₃N₃O₈S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 161471650

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16131869019.

an image of a chemical structure CID 161318690

MW:: 449.600
MF:: C₂₆H₃₁N₃O₂S

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 161318690

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 16096277520.

an image of a chemical structure CID 160962775

MW:: 531.600
MF:: C₂₅H₃₀N₃O₆PS

IUPAC name:: 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1H-quin...

Create Date:: 2021-12-03

CID:: 160962775

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

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Chemical Properties

Rule of 5 (12)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (1)
Compounds identified as active in screening experiments

BioAssays, Tested (1)
Compounds identified as tested in screening experiments

BioMedical Annotation

Pharmacological Actions (1)
Therapeutic use and National Library of Medicine (NLM) compound classifications

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