Compounds, Active for PubChem BioAssay (Select 1948) - PubChem Compound - NCBI

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Items: 19

Select item 167580471.

an image of a chemical structure CID 16758047

CHEMBL1485130; NCGC00095634-01

MW:: 328.270
MF:: C₁₄H₁₆O₉

IUPAC name:: (4S,4aR)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3...

Create Date:: 2007-11-09

CID:: 16758047

Summary Similar Compounds Same Parent, Connectivity

Select item 166847322.

an image of a chemical structure CID 16684732

NSC-31660; NCI31660; CCG-37118 ...

MW:: 396.970
MF:: C₁₀H₁₃NO₈Sb

Create Date:: 2007-08-23

CID:: 16684732

Summary Similar Compounds Mixture/Component Compounds

Select item 32467333.

an image of a chemical structure CID 3246733

NSC-669581; NCIStruc1_000784; NCIStruc2_001144 ...

MW:: 240.200
MF:: C₁₀H₁₃N₂O₃P

IUPAC name:: [(1S)-1-amino-2-(1H-indol-3-yl)ethyl]phosphonic acid

Create Date:: 2005-08-20

CID:: 3246733

Summary Similar Compounds Same Parent, Connectivity

Select item 32392414.

an image of a chemical structure CID 3239241

SMR000030599; MLS000254482; CHEMBL1556777 ...

MW:: 473.600
MF:: C₂₂H₂₃N₃O₅S₂

IUPAC name:: N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylprop...

Create Date:: 2005-08-16

CID:: 3239241

Summary Similar Compounds Same Parent, Connectivity

Select item 32380315.

an image of a chemical structure CID 3238031

6-((4-(2,5-dimethylphenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione; 852048-08-9; 6-{[4-(2,5-dimethylphenyl)-5-(propylthio)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-2,4(1H,3H)-dione ...

MW:: 371.500
MF:: C₁₈H₂₁N₅O₂S

IUPAC name:: 6-[[4-(2,5-dimethylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-...

Create Date:: 2005-08-16

CID:: 3238031

Summary Similar Compounds Same Parent, Connectivity

Select item 32350366.

an image of a chemical structure CID 3235036

NCGC00012458; CHEMBL1559404; PCOP-834385

MW:: 395.500
MF:: C₂₁H₂₅N₅O₃

IUPAC name:: 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridi...

Create Date:: 2005-08-16

CID:: 3235036

Summary Similar Compounds Same Parent, Connectivity

Select item 32347017.

an image of a chemical structure CID 3234701

NCGC00012123; CHEMBL1335654; PCOP-725386

MW:: 324.800
MF:: C₁₈H₁₇ClN₄

IUPAC name:: 6-(2-chlorophenyl)-4-piperazin-1-ylquinazoline

Create Date:: 2005-08-16

CID:: 3234701

Summary Similar Compounds Same Parent, Connectivity

Select item 32346278.

an image of a chemical structure CID 3234627

NCGC00012049; CHEMBL1438928; PCOP-704569

MW:: 336.400
MF:: C₁₈H₂₀N₆O

IUPAC name:: 8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one

Create Date:: 2005-08-16

CID:: 3234627

Summary Similar Compounds Same Parent, Connectivity

Select item 32336189.

an image of a chemical structure CID 3233618

NCGC00011037; CHEMBL1551919; PCOP-344296

MW:: 260.290
MF:: C₁₆H₁₂N₄

IUPAC name:: 3-[4-(methylamino)quinazolin-2-yl]benzonitrile

Create Date:: 2005-08-16

CID:: 3233618

Summary Similar Compounds Same Parent, Connectivity

Select item 323353510.

an image of a chemical structure CID 3233535

NCGC00010954; CHEMBL1338051; PCOP-318188

MW:: 361.400
MF:: C₂₀H₁₆FN₅O

IUPAC name:: 2-anilino-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one

Create Date:: 2005-08-16

CID:: 3233535

Summary Similar Compounds Same Parent, Connectivity

Select item 323267511.

an image of a chemical structure CID 3232675

NCGC00010091; CHEMBL1513669; PCOP-32590

MW:: 342.400
MF:: C₂₀H₁₄N₄S

IUPAC name:: 3-[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]benzonitrile

Create Date:: 2005-08-15

CID:: 3232675

Summary Similar Compounds Same Parent, Connectivity

Select item 323263712.

an image of a chemical structure CID 3232637

NCGC00010053; 2-(furan-3-yl)-N-phenylquinazolin-4-amine; CHEMBL1568575 ...

MW:: 287.300
MF:: C₁₈H₁₃N₃O

IUPAC name:: 2-(furan-3-yl)-N-phenylquinazolin-4-amine

Create Date:: 2005-08-15

CID:: 3232637

Summary Similar Compounds Same Parent, Connectivity

Select item 253466713.

an image of a chemical structure CID 2534667

MLS000097602; CHEMBL1586370; HMS2417J24 ...

MW:: 300.310
MF:: C₁₆H₁₆N₂O₄

IUPAC name:: (5-acetyl-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxyl...

Create Date:: 2005-07-16

CID:: 2534667

Summary Similar Compounds Same Parent, Connectivity

Select item 223701614.

an image of a chemical structure CID 2237016

SMR000082248; MLS000100243; CHEMBL1537626 ...

MW:: 271.340
MF:: C₁₄H₁₃N₃OS

IUPAC name:: 2-[3-(2-methylprop-2-enyl)-4-oxoquinazolin-2-yl]sulfanylacet...

Create Date:: 2005-07-15

CID:: 2237016

Summary Similar Compounds Same Parent, Connectivity

Select item 97253915.

an image of a chemical structure CID 972539

637325-48-5; 3-[(difluoromethyl)sulfanyl]-5-(phenoxymethyl)-4H-1,2,4-triazol-4-amine; 3-((difluoromethyl)thio)-5-(phenoxymethyl)-4H-1,2,4-triazol-4-amine ...

MW:: 272.280
MF:: C₁₀H₁₀F₂N₄OS

IUPAC name:: 3-(difluoromethylsulfanyl)-5-(phenoxymethyl)-1,2,4-triazol-4...

Create Date:: 2005-07-09

CID:: 972539

Summary Similar Compounds Same Parent, Connectivity

Select item 68987816.

an image of a chemical structure CID 689878

MLS000104439; SMR000054374; Oprea1_214817 ...

MW:: 338.310
MF:: C₁₆H₁₈O₈

IUPAC name:: 4-O-[4-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butane...

Create Date:: 2005-07-07

CID:: 689878

Summary Similar Compounds Same Parent, Connectivity

Select item 64847817.

an image of a chemical structure CID 648478

SMR000006538; MLS000073984; 3-Allyl-7-methyl-4-oxo-10-oxa-3-aza-tricyclo[5.2.1.0*1,5*]dec-8-ene-2,6-dicarboxylic acid 6-benzylamide 2-tert-butylamide ...

MW:: 437.500
MF:: C₂₅H₃₁N₃O₄

IUPAC name:: 6-N-benzyl-2-N-tert-butyl-7-methyl-4-oxo-3-prop-2-enyl-10-ox...

Create Date:: 2005-06-04

CID:: 648478

Summary Similar Compounds Same Parent, Connectivity

Select item 1539418.

an image of a chemical structure CID 15394

ETHYL VINYL KETONE; 1-Penten-3-one; 1629-58-9 ...

MW:: 84.120
MF:: C₅H₈O

IUPAC name:: pent-1-en-3-one

Create Date:: 2005-03-26

CID:: 15394

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

Select item 78519.

an image of a chemical structure CID 785

hydroquinone; 123-31-9; Benzene-1,4-diol ...

MW:: 110.110
MF:: C₆H₆O₂

IUPAC name:: benzene-1,4-diol

Create Date:: 2004-09-16

CID:: 785

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

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Chemical Properties

Rule of 5 (18)
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 (19)
Compounds identified as active in screening experiments

BioAssays, Tested (19)
Compounds identified as tested in screening experiments

Protein 3D Structures (1)
Compounds bound to proteins in atructure biology experiments

BioMedical Annotation

Pharmacological Actions (1)
Therapeutic use and National Library of Medicine (NLM) compound classifications
BioSystems (2)
Compounds involved in biological pathways

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Compounds, Active for PubChem BioAssay (Select 1948) (19)
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