ZINC
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ZINC ID or SMILES
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Identity
99%
90%
80%
70%
Substructure
1,2,3,3a,3b,4,5,5a,6,9a,9b,10,11,11a-tetradecahydroindeno[5,4-f]quinolin-7-one
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Ring Information
Rings
Ring Systems
Atoms
Carbons
Nitrogens
Oxygens
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4
1
18
16
1
1
0
Subset Information
Substances
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BB
In Man
Last Updated
View
0
0
10
0
1
2012-03-06
Parents (
3 Total
)
Cyclopentane
Cyclohexane
2,3-dihydro-1H-pyridin-6-one
Children (
3 Total
)
2-benzyl-1,2,3,3a,3b,4,5,5a,6,9a…
N-(1H-benzimidazol-2-ylmethyl)-2…
7-keto-N-[4-[(1-keto-2H-phthalaz…
Most Common Targets
Name
(Uniprot)
Swissprot
ChEMBL
Description
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(Annotations)
S5A1_RAT
P24008
CHEMBL3422
Steroid 5-alpha-reductase 1, Rat
6
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
S5A1_RAT
P24008
CHEMBL3422
Steroid 5-alpha-reductase 1, Rat
6
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ANDR_HUMAN
P10275
CHEMBL1871
Androgen Receptor, Human
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ANDR_HUMAN
P10275
CHEMBL1871
Androgen Receptor, Human
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
ANDR_HUMAN
P10275
CHEMBL1871
Androgen Receptor, Human
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
S5A2_RAT
P31214
CHEMBL5099
Steroid 5-alpha-reductase 2, Rat
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
S5A2_RAT
P31214
CHEMBL5099
Steroid 5-alpha-reductase 2, Rat
4
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
KCNH2_HUMAN
Q12809
CHEMBL240
HERG, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase
KCNH2_HUMAN
Q12809
CHEMBL240
HERG, Human
1
Annotations
Catalogs
SMILES
SDF
Mol2
Flexibase