ZINC
12
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
N-[4-(2-morpholin-4-ium-4-ylidenechromen-8-yl)-2-(2-pyrrolidinoethoxy)phenyl]-2-morpholino-acetamide
PubMed
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SMILES:
Ring Information
Rings
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Atoms
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Nitrogens
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6
5
40
31
4
5
0
Subset Information
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BB
In Man
Last Updated
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0
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1
0
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2012-04-23
Parents (
5 Total
)
Pyrrolidine
Morpholine
Benzene
4-methylenemorpholin-4-ium
Chromen-2-ylideneamine
No Child Rings
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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(Annotations)
PK3CA_HUMAN
P42336
CHEMBL4005
PI3-kinase P110-alpha Subunit, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase