PubChem Compounds for BioSystems (Select 83032) - PubChem Compound - NCBI

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Select item 248928121.

an image of a chemical structure CID 24892812

(3Z)-2-Propylpent-3-enoic acid; 90830-42-5; 2-n-Propyl-3-pentenoic acid ...

MW:: 142.200
MF:: C₈H₁₄O₂

IUPAC name:: (Z)-2-propylpent-3-enoic acid

Create Date:: 2008-09-10

CID:: 24892812

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

Select item 248928072.

an image of a chemical structure CID 24892807

Carbamazepine-o-quinone; 1135202-29-7; CHEBI:80601 ...

MW:: 266.250
MF:: C₁₅H₁₀N₂O₃

IUPAC name:: 2,3-dioxobenzo[b][1]benzazepine-11-carboxamide

Create Date:: 2008-09-10

CID:: 24892807

Summary Similar Compounds Same Parent, Connectivity

Select item 248928063.

an image of a chemical structure CID 24892806

2,3-Dihydroxycarbamazepine; 81861-12-3; B91J9LX3OM ...

MW:: 268.270
MF:: C₁₅H₁₂N₂O₃

IUPAC name:: 2,3-dihydroxybenzo[b][1]benzazepine-11-carboxamide

Create Date:: 2008-09-10

CID:: 24892806

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

Select item 213503934.

an image of a chemical structure CID 21350393

5-Phenyl-1,3-oxazinane-2,4-dione; SCHEMBL21594818; CHEBI:80594 ...

MW:: 191.180
MF:: C₁₀H₉NO₃

IUPAC name:: 5-phenyl-1,3-oxazinane-2,4-dione

Create Date:: 2007-12-05

CID:: 21350393

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

Select item 213503925.

an image of a chemical structure CID 21350392

4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one; Cmba derivative; 183961-08-2 ...

MW:: 193.200
MF:: C₁₀H₁₁NO₃

IUPAC name:: 4-hydroxy-5-phenyl-1,3-oxazinan-2-one

Create Date:: 2007-12-05

CID:: 21350392

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

Select item 213503916.

an image of a chemical structure CID 21350391

3-Carbamoyl-2-phenylpropionaldehyde; 3-Carbamoyl-2-phenyl-propionaldehyde; XX759FW4TN ...

MW:: 193.200
MF:: C₁₀H₁₁NO₃

IUPAC name:: (3-oxo-2-phenylpropyl) carbamate

Create Date:: 2007-12-05

CID:: 21350391

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

Select item 131038647.

an image of a chemical structure CID 13103864

2-Hydroxyiminostilbene; 81861-18-9; 5H-dibenzo[b,f]azepin-2-ol ...

MW:: 209.240
MF:: C₁₄H₁₁NO

IUPAC name:: 11H-benzo[b][1]benzazepin-3-ol

Create Date:: 2007-02-08

CID:: 13103864

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

Select item 123417938.

an image of a chemical structure CID 12341793

L-alpha-Acetyl-N,N-dinormethadol; DN-LAAM; 54276-34-5 ...

MW:: 325.400
MF:: C₂₁H₂₇NO₂

IUPAC name:: [(3S,6S)-6-amino-4,4-diphenylheptan-3-yl] acetate

Create Date:: 2007-02-07

CID:: 12341793

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

Select item 104745099.

an image of a chemical structure CID 10474509

alpha-Hydroxy-N-desmethyltamoxifen; 162070-61-3; N-DESMETHYL (E)-ALPHA-HYDROXY TAMOXIFEN ...

MW:: 373.500
MF:: C₂₅H₂₇NO₂

IUPAC name:: (E)-4-[4-[2-(methylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en...

Create Date:: 2006-10-25

CID:: 10474509

Summary Similar Compounds Same Parent, Connectivity

Select item 1040317410.

an image of a chemical structure CID 10403174

Citalopram propionic acid; 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propanoic acid; SCHEMBL8281553 ...

MW:: 311.300
MF:: C₁₈H₁₄FNO₃

IUPAC name:: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]propanoic...

Create Date:: 2006-10-25

CID:: 10403174

Summary Similar Compounds Same Parent, Connectivity

Select item 1040003911.

an image of a chemical structure CID 10400039

2-Hydroxyfelbamate; 109482-32-8; 2-Hydroxy Felbamate ...

MW:: 254.240
MF:: C₁₁H₁₄N₂O₅

IUPAC name:: (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate

Create Date:: 2006-10-25

CID:: 10400039

Summary Similar Compounds Same Parent, Connectivity

Select item 1026558912.

an image of a chemical structure CID 10265589

Alcoifosfamide; 3-bis(2-chloroethylamino)phosphoryloxypropan-1-ol; CHEBI:80565 ...

MW:: 279.100
MF:: C₇H₁₇Cl₂N₂O₃P

IUPAC name:: 3-bis(2-chloroethylamino)phosphoryloxypropan-1-ol

Create Date:: 2006-10-25

CID:: 10265589

Summary Similar Compounds Same Parent, Connectivity

Select item 1009075013.

an image of a chemical structure CID 10090750

Endoxifen; 112093-28-4; Z-Endoxifen ...

MW:: 373.500
MF:: C₂₅H₂₇NO₂

IUPAC name:: 4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-eny...

Create Date:: 2006-10-25

CID:: 10090750

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

Select item 1006814214.

an image of a chemical structure CID 10068142

Citalopram N-oxide; 63284-72-0; 9E2C7VT4RR ...

MW:: 340.400
MF:: C₂₀H₂₁FN₂O₂

IUPAC name:: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dime...

Create Date:: 2006-10-25

CID:: 10068142

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 994400015.

an image of a chemical structure CID 9944000

Citalopram aldehyde; Citalopram propionaldehyde; SCHEMBL3286923 ...

MW:: 295.300
MF:: C₁₈H₁₄FNO₂

IUPAC name:: 1-(4-fluorophenyl)-1-(3-oxopropyl)-3H-2-benzofuran-5-carboni...

Create Date:: 2006-10-25

CID:: 9944000

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 992587316.

an image of a chemical structure CID 9925873

Norcodeine; N-Desmethylcodeine; 467-15-2 ...

MW:: 285.340
MF:: C₁₇H₁₉NO₃

IUPAC name:: (4R,4aR,7S,7aR,12bS)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-...

Create Date:: 2006-10-25

CID:: 9925873

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

Select item 992131017.

an image of a chemical structure CID 9921310

p-Hydroxyfelbamate; 109482-28-2; para-Hydroxy Felbamate ...

MW:: 254.240
MF:: C₁₁H₁₄N₂O₅

IUPAC name:: [3-carbamoyloxy-2-(4-hydroxyphenyl)propyl] carbamate

Create Date:: 2006-10-25

CID:: 9921310

Summary Similar Compounds Same Parent, Connectivity

Select item 987936818.

an image of a chemical structure CID 9879368

2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline; 30223-74-6; EMDP ...

MW:: 263.400
MF:: C₁₉H₂₁N

IUPAC name:: 5-ethyl-2-methyl-4,4-diphenyl-2,3-dihydropyrrole

Create Date:: 2006-10-25

CID:: 9879368

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 644180919.

an image of a chemical structure CID 6441809

72010-18-5; 2-Propyl-2,4-pentadienoic acid; (2E)-2-propylpenta-2,4-dienoic acid ...

MW:: 140.180
MF:: C₈H₁₂O₂

IUPAC name:: (2E)-2-propylpenta-2,4-dienoic acid

Create Date:: 2006-04-28

CID:: 6441809

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

Select item 643706820.

an image of a chemical structure CID 6437068

33786-47-9; (E)-2-propylpent-2-enoic acid; 2-Propyl-2-pentenoic acid ...

MW:: 142.200
MF:: C₈H₁₄O₂

IUPAC name:: (E)-2-propylpent-2-enoic acid

Create Date:: 2006-04-28

CID:: 6437068

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

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Chemical Properties

Rule of 5 (77)
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 (36)
Compounds identified as active in screening experiments

BioAssays, Tested (57)
Compounds identified as tested in screening experiments

Protein 3D Structures (7)
Compounds bound to proteins in atructure biology experiments

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Pharmacological Actions (20)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (88)
Compounds involved in biological pathways

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PubChem Compounds for BioSystems (Select 83032) (88)
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