ZINC
12
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
1,4a,5,6,7,7a-hexahydro-1-pyrindine-2,4-quinone
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SMILES:
Ring Information
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2
1
11
8
1
2
0
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BB
In Man
Last Updated
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0
0
0
0
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2012-05-17
Parents (
2 Total
)
Cyclopentane
Piperidine-2,4-quinone
Children (
6 Total
)
3-(1,1-diketo-4H-benzo[e][1,2,4]…
1-(cyclopropylmethyl)-3-(1,1-dik…
1-(2-cyclopropylethyl)-3-(1,1-di…
1-(cyclobutylmethyl)-3-(1,1-dike…
1-cyclopentyl-3-(1,1-diketo-4H-b…
1-cyclohexyl-3-(1,1-diketo-4H-be…
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
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(Annotations)
Z50643
Z50643
CHEMBL379
Hepatitis C Virus
19
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
![3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-1,4a,5,6,7,7a-hexahydro-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/587036.gif)
![1-(cyclopropylmethyl)-3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/587051.gif)
![1-(2-cyclopropylethyl)-3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/587039.gif)
![1-(cyclobutylmethyl)-3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/587053.gif)
![1-cyclopentyl-3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/590954.gif)
![1-cyclohexyl-3-(1,1-diketo-4H-benzo[e][1,2,4]thiadiazin-3-yl)-5,6,7,7a-tetrahydro-4aH-1-pyrindine-2,4-quinone](http://zinc12.docking.org/img/rings/587049.gif)