Compounds, Active for PubChem BioAssay (Select 624339) - PubChem Compound - NCBI

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Select item 1354388091.

an image of a chemical structure CID 135438809

63384-61-2; 2-[(4-methoxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one; MLS000109390 ...

MW:: 262.330
MF:: C₁₃H₁₄N₂O₂S

IUPAC name:: 2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-...

Create Date:: 2019-01-15

CID:: 135438809

Summary Similar Compounds Same Parent, Connectivity

Select item 1354120542.

an image of a chemical structure CID 135412054

ML033; MLS000062185; CHEMBL473326 ...

MW:: 292.800
MF:: C₁₄H₁₃ClN₂OS

IUPAC name:: 2-[(4-chlorophenyl)methylsulfanyl]-3,5,6,7-tetrahydrocyclope...

Create Date:: 2019-01-15

CID:: 135412054

Summary Similar Compounds Same Parent, Connectivity

Select item 209694303.

an image of a chemical structure CID 20969430

ML201; CHEMBL1603014; 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one ...

MW:: 399.500
MF:: C₂₀H₂₁N₃O₄S

IUPAC name:: 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindo...

Create Date:: 2007-12-05

CID:: 20969430

Summary Similar Compounds Same Parent, Connectivity

Select item 177571464.

an image of a chemical structure CID 17757146

ML-030; 1013750-77-0; 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine ...

MW:: 412.500
MF:: C₂₀H₂₀N₄O₄S

IUPAC name:: 3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]tr...

Create Date:: 2007-11-30

CID:: 17757146

Summary Similar Compounds Same Parent, Connectivity

Select item 173678175.

an image of a chemical structure CID 17367817

MLS001203677; SMR000516138; (4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine ...

MW:: 367.400
MF:: C₂₁H₂₁NO₅

IUPAC name:: 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine;oxa...

Create Date:: 2007-11-13

CID:: 17367817

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 161908676.

an image of a chemical structure CID 16190867

(3-Isopropoxyphenyl)(1-((5-methyl-1-propyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)methanone; 958841-22-0; ML157 ...

MW:: 383.500
MF:: C₂₃H₃₃N₃O₂

IUPAC name:: [1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]-(3...

Create Date:: 2007-07-05

CID:: 16190867

Summary Similar Compounds Same Parent, Connectivity

Select item 73455327.

an image of a chemical structure CID 7345532

ML-098; 878978-76-8; ML098 ...

MW:: 309.400
MF:: C₁₉H₁₉NO₃

IUPAC name:: 1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic acid

Create Date:: 2006-07-29

CID:: 7345532

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 68756908.

an image of a chemical structure CID 6875690

N-(3,4-dimethylphenyl)-4-[2-({5-nitro-2-furyl}methylene)hydrazino]-4-oxobutanamide; N-(3,4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanediamide; SMR000348451 ...

MW:: 358.300
MF:: C₁₇H₁₈N₄O₅

IUPAC name:: N-(3,4-dimethylphenyl)-N'-[(E)-(5-nitrofuran-2-yl)methyliden...

Create Date:: 2006-07-03

CID:: 6875690

Summary Similar Compounds Same Parent, Connectivity

Select item 66191009.

an image of a chemical structure CID 6619100

ML115; 912798-42-6; N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-3-isoxazolecarboxamide ...

MW:: 322.740
MF:: C₁₅H₁₅ClN₂O₄

IUPAC name:: N-(4-chloro-2,5-dimethoxyphenyl)-5-cyclopropyl-1,2-oxazole-3...

Create Date:: 2006-06-05

CID:: 6619100

Summary Similar Compounds Same Parent, Connectivity

Select item 660332010.

an image of a chemical structure CID 6603320

Emetine hydrochloride; 14198-59-5; Emetine (hydrochloride) ...

MW:: 517.100
MF:: C₂₉H₄₁ClN₂O₄

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

Create Date:: 2006-05-25

CID:: 6603320

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

Select item 640460311.

an image of a chemical structure CID 6404603

5-methoxy-3,6-diphenyl-1,2,4-triazine; 54637-94-4; ML104 ...

MW:: 263.290
MF:: C₁₆H₁₃N₃O

IUPAC name:: 5-methoxy-3,6-diphenyl-1,2,4-triazine

Create Date:: 2005-07-11

CID:: 6404603

Summary Similar Compounds Same Parent, Connectivity

Select item 590444112.

an image of a chemical structure CID 5904441

alpha-((5-Nitro-2-furanyl)methylene)-1H-benzimidazole-2-acetonitrile; 6448-59-5; (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enenitrile ...

MW:: 280.240
MF:: C₁₄H₈N₄O₃

IUPAC name:: (E)-2-(1H-benzimidazol-2-yl)-3-(5-nitrofuran-2-yl)prop-2-ene...

Create Date:: 2005-09-10

CID:: 5904441

Summary Similar Compounds Same Parent, Connectivity

Select item 540187613.

an image of a chemical structure CID 5401876

MLS000769271; 327086-13-5; N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide ...

MW:: 326.400
MF:: C₁₇H₁₄N₂O₃S

IUPAC name:: N-(2-methoxyphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)...

Create Date:: 2005-07-08

CID:: 5401876

Summary Similar Compounds Same Parent, Connectivity

Select item 531034614.

an image of a chemical structure CID 5310346

1164540-96-8; 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione; ML146 ...

MW:: 370.500
MF:: C₁₉H₂₂N₄O₂S

IUPAC name:: 7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfanyl)purine...

Create Date:: 2005-08-09

CID:: 5310346

Summary Similar Compounds Same Parent, Connectivity

Select item 523677115.

an image of a chemical structure CID 5236771

N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide; ML139; MLS000729783 ...

MW:: 425.600
MF:: C₂₄H₃₁N₃O₂S

IUPAC name:: N-[1-(cyclohexylcarbamoyl)cyclohexyl]-N-(thiophen-2-ylmethyl...

Create Date:: 2005-10-07

CID:: 5236771

Summary Similar Compounds Same Parent, Connectivity

Select item 518480016.

an image of a chemical structure CID 5184800

573965-48-7; [(adamantan-1-yl)carbamoyl]methyl 4-methanesulfonyl-3-nitrobenzoate; MLS000389544 ...

MW:: 436.500
MF:: C₂₀H₂₄N₂O₇S

IUPAC name:: [2-(1-adamantylamino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobe...

Create Date:: 2005-09-26

CID:: 5184800

Summary Similar Compounds Same Parent, Connectivity

Select item 487049417.

an image of a chemical structure CID 4870494

ML121; 1212185-26-6; MLS000680027 ...

MW:: 316.400
MF:: C₁₆H₁₆N₂OS₂

IUPAC name:: 9-pyridin-3-yl-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]t...

Create Date:: 2005-09-17

CID:: 4870494

Summary Similar Compounds Same Parent, Connectivity

Select item 454723018.

an image of a chemical structure CID 4547230

ML170; 899717-26-1; N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide ...

MW:: 330.400
MF:: C₁₇H₁₈N₂O₃S

IUPAC name:: N-(3,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulf...

Create Date:: 2005-09-15

CID:: 4547230

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 453638319.

an image of a chemical structure CID 4536383

VU590; 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane; 7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane ...

MW:: 488.500
MF:: C₂₄H₃₂N₄O₇

IUPAC name:: 7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacycl...

Create Date:: 2005-09-15

CID:: 4536383

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

Select item 407609220.

an image of a chemical structure CID 4076092

868224-64-0; SID 7969543; SID7969543 ...

MW:: 452.500
MF:: C₂₄H₂₄N₂O₇

IUPAC name:: ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoe...

Create Date:: 2005-09-13

CID:: 4076092

Summary Similar Compounds Same Parent, Connectivity

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Rule of 5 (72)
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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