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Compound InformationSONAR Target prediction
Name:

ANDROSTERONE ACETATE

Unique Identifier:SPE00107113
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:301.231 g/mol
X log p:-0.0390000000000001  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1
Source:semisynthetic
Therapeutics:androgen

Found: 23 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: HHF1
Replicates: 2
Raw OD Value: r im 0.5998±0.0436992
Normalized OD Score: sc h 0.8661±0.0221747
Z-Score: -5.8007±0.700646
p-Value: 0.0000000563948
Z-Factor: -0.23327
Fitness Defect: 16.6909
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-04-15 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00098
Plate DMSO Control (-):0.6932750000000001±0.02151
Plate Z-Factor:0.8747
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
540068 methyl 7-acetyloxytetradecanoate
540361 methyl 9-acetyloxyhexadecanoate
540509 methyl 8-acetyloxyicosanoate
540513 [10,13-dimethyl-17-(3-oxobutan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate
540518 methyl 8-acetyloxytetradecanoate
540711 methyl 10-acetyloxyoctadecanoate

internal high similarity DBLink | Rows returned: 101 2 Next >> 
NRB 01759 0.9231
NRB 01694 0.9444
BTB 14978 0.9474
BTBG 00067 0.9474
NRB 02502 0.9730
NRB 03739 0.9730

nonactive | Cluster 11774 | Additional Members: 14 | Rows returned: 81 2 Next >> 
SPE00107108 0.377049180327869
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
Prest1062 0
Prest689 0

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