ZINC
12
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ZINC ID or SMILES
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Bemis-Murcko Scaffolds
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Identity
99%
90%
80%
70%
Substructure
1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
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Nitrogens
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4
1
16
16
0
0
0
Subset Information
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BB
In Man
Last Updated
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0
3
1
3
0
2012-04-17
Parents (
1 Total
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Cyclohexane
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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(Annotations)
Z50425
Z50425
CHEMBL364
Plasmodium Falciparum
1
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SDF
Mol2
Flexibase
