Mixture/Component Compounds for PubChem Compound (Select 161749338) - PubChem Compound

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Items: 8

Select item 1594074181.

an image of a chemical structure CID 159407418

MW:: 443.400
MF:: C₂₃H₂₅NO₈

IUPAC name:: (4S,4aR,5S,5aR,6R,12aR)-1,5,10,11,12a-pentahydroxy-6-methyl-...

Create Date:: 2021-12-03

CID:: 159407418

Select item 52823792.

an image of a chemical structure CID 5282379

4759-48-2; Isotretinoin; 13-cis-Retinoic acid ...

MW:: 300.400
MF:: C₂₀H₂₈O₂

IUPAC name:: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl...

Create Date:: 2005-06-24

CID:: 5282379

Select item 3631363.

an image of a chemical structure CID 363136

4-[(4-methylphenyl)sulfonyl]aniline; 4094-38-6; benzenamine, 4-[(4-methylphenyl)sulfonyl]- ...

MW:: 247.310
MF:: C₁₃H₁₃NO₂S

IUPAC name:: 4-(4-methylphenyl)sulfonylaniline

Create Date:: 2005-03-26

CID:: 363136

Select item 61124.

an image of a chemical structure CID 6112

lipoic acid; 1200-22-2; (R)-lipoic acid ...

MW:: 206.300
MF:: C₈H₁₄O₂S₂

IUPAC name:: 5-[(3R)-dithiolan-3-yl]pentanoic acid

Create Date:: 2004-09-16

CID:: 6112

Select item 24355.

an image of a chemical structure CID 2435

brimonidine; 59803-98-4; Bromoxidine ...

MW:: 292.130
MF:: C₁₁H₁₀BrN₅

IUPAC name:: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

Create Date:: 2005-03-25

CID:: 2435

Select item 22666.

an image of a chemical structure CID 2266

azelaic acid; NONANEDIOIC ACID; 123-99-9 ...

MW:: 188.220
MF:: C₉H₁₆O₄

IUPAC name:: nonanedioic acid

Create Date:: 2005-03-25

CID:: 2266

Select item 9367.

an image of a chemical structure CID 936

nicotinamide; niacinamide; 98-92-0 ...

MW:: 122.120
MF:: C₆H₆N₂O

IUPAC name:: pyridine-3-carboxamide

Create Date:: 2004-09-16

CID:: 936

Select item 8648.

an image of a chemical structure CID 864

thioctic acid; dl-Thioctic acid; 1077-28-7 ...

MW:: 206.300
MF:: C₈H₁₄O₂S₂

IUPAC name:: 5-(dithiolan-3-yl)pentanoic acid

Create Date:: 2004-09-16

CID:: 864

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Chemical Properties

Rule of 5 (6)
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 (7)
Compounds identified as active in screening experiments

BioAssays, Tested (7)
Compounds identified as tested in screening experiments

Protein 3D Structures (4)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (6)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (3)
Compounds involved in biological pathways

Depositor Category