Compounds, activity concentration at/below 1 uM for PubChem BioAssay ( - PubChem Compound - NCBI

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Select item 1170726351.

an image of a chemical structure CID 117072635

1'-Epi Gemcitabine Hydrochloride; 122111-05-1; 4-Amino-1-((2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride ...

MW:: 299.660
MF:: C₉H₁₂ClF₂N₃O₄

IUPAC name:: 4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethy...

Create Date:: 2016-02-10

CID:: 117072635

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 734408242.

an image of a chemical structure CID 73440824

Topotecan hydrochloride hydrate; Topotecan (hydrochloride hydrate); 1044663-62-8 ...

MW:: 475.900
MF:: C₂₃H₂₆ClN₃O₆

IUPAC name:: (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-o...

Create Date:: 2014-04-24

CID:: 73440824

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 513711283.

an image of a chemical structure CID 51371128

HMS3260L20; Tox21_500299; CCG-221603 ...

MW:: 298.370
MF:: C₁₆H₂₆O₅

IUPAC name:: (1S,4R,5S,8R,9R,10S,12R,13S)-10-methoxy-1,5,9-trimethyl-11,1...

Create Date:: 2011-05-19

CID:: 51371128

Summary Similar Compounds Same Parent, Connectivity

Select item 160789484.

an image of a chemical structure CID 16078948

AC-93253 iodide; 108527-83-9; AC-93253 ...

MW:: 488.400
MF:: C₂₃H₂₅IN₂S

IUPAC name:: 3-ethyl-2-[(E,3E)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-e...

Create Date:: 2007-06-13

CID:: 16078948

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

Select item 30681435.

an image of a chemical structure CID 3068143

EMETINE DIHYDROCHLORIDE; 316-42-7; Emetine hydrochloride ...

MW:: 553.600
MF:: C₂₉H₄₂Cl₂N₂O₄

IUPAC name:: (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoqui...

Create Date:: 2005-08-09

CID:: 3068143

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

Select item 27335046.

an image of a chemical structure CID 2733504

Diphenyleneiodonium chloride; 4673-26-1; Dibenziodolium chloride ...

MW:: 314.550
MF:: C₁₂H₈ClI

IUPAC name:: 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen...

Create Date:: 2005-07-19

CID:: 2733504

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

Select item 4490547.

an image of a chemical structure CID 449054

RepSox; 446859-33-2; 2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine ...

MW:: 287.320
MF:: C₁₇H₁₃N₅

IUPAC name:: 2-[5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl]-1,5-naphthyridi...

Create Date:: 2005-06-24

CID:: 449054

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

Select item 4463788.

an image of a chemical structure CID 446378

thapsigargin; 67526-95-8; MFCD00083511 ...

MW:: 650.800
MF:: C₃₄H₅₀O₁₂

IUPAC name:: [(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a...

Create Date:: 2005-06-01

CID:: 446378

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

Select item 4431209.

an image of a chemical structure CID 443120

S-(p-Azidophenacyl)glutathione; 73322-71-1; S-(4-Azidophenacyl)glutathione ...

MW:: 466.500
MF:: C₁₈H₂₂N₆O₇S

IUPAC name:: (2S)-2-amino-5-[[(2R)-3-[2-(4-azidophenyl)-2-oxoethyl]sulfan...

Create Date:: 2005-06-24

CID:: 443120

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

Select item 43950110.

an image of a chemical structure CID 439501

ouabain; G-Strophanthin; Ouabaine ...

MW:: 584.700
MF:: C₂₉H₄₄O₁₂

IUPAC name:: 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydro...

Create Date:: 2005-06-24

CID:: 439501

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

Select item 19769011.

an image of a chemical structure CID 197690

SB 205384; 160296-13-9; SB-205384 ...

MW:: 330.400
MF:: C₁₇H₁₈N₂O₃S

IUPAC name:: but-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]...

Create Date:: 2005-08-09

CID:: 197690

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

Select item 14867312.

an image of a chemical structure CID 148673

Amsacrine hydrochloride; 54301-15-4; m-Amsa hydrochloride ...

MW:: 429.900
MF:: C₂₁H₂₀ClN₃O₃S

IUPAC name:: N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;...

Create Date:: 2005-08-08

CID:: 148673

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

Select item 12694113.

an image of a chemical structure CID 126941

methotrexate; 59-05-2; Rheumatrex ...

MW:: 454.400
MF:: C₂₀H₂₂N₈O₅

IUPAC name:: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]ben...

Create Date:: 2005-06-24

CID:: 126941

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

Select item 12263414.

an image of a chemical structure CID 122634

63597-44-4; 4alpha-Phorbol 12-myristate 13-acetate; 4alpha-PMA ...

MW:: 616.800
MF:: C₃₆H₅₆O₈

IUPAC name:: [(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8...

Create Date:: 2005-08-01

CID:: 122634

Summary Similar Compounds Same Parent, Connectivity

Select item 12232715.

an image of a chemical structure CID 122327

114289-47-3; 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide; CI 976 ...

MW:: 393.600
MF:: C₂₃H₃₉NO₄

IUPAC name:: 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

Create Date:: 2005-08-08

CID:: 122327

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

Select item 10779416.

an image of a chemical structure CID 107794

6-Hydroxy-DL-DOPA; 2,4,5-Trihydroxyphenylalanine; 6-Hydroxydopa ...

MW:: 213.190
MF:: C₉H₁₁NO₅

IUPAC name:: 2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid

Create Date:: 2005-08-08

CID:: 107794

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

Select item 5108217.

an image of a chemical structure CID 51082

Mitoxantrone hydrochloride; 70476-82-3; Mitoxantrone dihydrochloride ...

MW:: 517.400
MF:: C₂₂H₃₀Cl₂N₄O₆

IUPAC name:: 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anth...

Create Date:: 2005-06-24

CID:: 51082

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

Select item 3754218.

an image of a chemical structure CID 37542

ribavirin; 36791-04-5; Tribavirin ...

MW:: 244.200
MF:: C₈H₁₂N₄O₅

IUPAC name:: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]...

Create Date:: 2005-06-24

CID:: 37542

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

Select item 2436019.

an image of a chemical structure CID 24360

camptothecin; 7689-03-4; Camptothecine ...

MW:: 348.400
MF:: C₂₀H₁₆N₂O₄

IUPAC name:: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0...

Create Date:: 2005-03-26

CID:: 24360

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

Select item 1064920.

an image of a chemical structure CID 10649

dequalinium chloride; 522-51-0; Dequalinium Dichloride ...

MW:: 527.600
MF:: C₃₀H₄₀Cl₂N₄

IUPAC name:: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylqu...

Create Date:: 2005-06-24

CID:: 10649

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

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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]).

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