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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] << Back 21 22 23
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.2619±0.00777817
Normalized OD Score: sc h 0.7254±0.0147733
Z-Score: -7.6809±0.423194
p-Value: 0.0000000000000788728
Z-Factor: 0.610461
Fitness Defect: 30.1709
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.0414±0.00114
Plate DMSO Control (-):0.35037500000000005±0.02538
Plate Z-Factor:0.7371
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DBLink | Rows returned: 291[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [49]
536983 methyl
4-(12-acetyloxy-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[
a]phenanthren-17-yl)pentanoate
537002 (2,4,10,13-tetramethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17
-yl) acetate
537009 (4a,6a,8-trimethyl-7-oxo-2,3,4,4b,5,6,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-chrysen-2-yl) acetate
537094 methyl 17-acetyloxyoctadecanoate
537108 methyl
4-(12-acetyloxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenan
thren-17-yl)pentanoate
537109 4-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr
en-17-yl)pentanoic acid

internal high similarity DBLink | Rows returned: 102 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

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
LOPAC 00697 0

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