ZINC
12
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
2,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-1H-picen-3-one
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
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5
1
23
22
0
1
0
Subset Information
Substances
Natural
Purchasable
Annotated
BB
In Man
Last Updated
View
3
0
1
0
0
2012-04-10
Parents (
4 Total
)
Cyclohexane
Cyclohexene
Cyclohexanone
Methylenecyclohexane
Children (
1 Total
)
Benzoic Acid (10-keto-1,2,3,4,5,…
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
Size
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(Annotations)
PTN1_HUMAN
P18031
CHEMBL335
Protein-tyrosine Phosphatase 1B, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase