ZINC
12
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
1-benzyl-3-[4-[(3-keto-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl)thio]phenyl]urea
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SMILES:
Ring Information
Rings
Ring Systems
Atoms
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Nitrogens
Oxygens
Sulfurs
6
3
36
31
2
2
1
Subset Information
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BB
In Man
Last Updated
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0
0
1
0
0
2012-03-07
Parents (
2 Total
)
Benzene
1,2,6,7,8,9,10,11,12,13,14,15,16…
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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(Annotations)
Z81008
Z81008
CHEMBL614788
Human Breast Cancer Cell Lines
1
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SDF
Mol2
Flexibase