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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 11 12 13 14 15 16 17 18 19 20  Next >> [23]
Species: 4932
Condition: RAD52
Replicates: 2
Raw OD Value: r im 0.5672±0.0393858
Normalized OD Score: sc h 0.8849±0.0405451
Z-Score: -4.8576±1.76225
p-Value: 0.00015221
Z-Factor: -1.13181
Fitness Defect: 8.7902
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2007-10-26 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00048
Plate DMSO Control (-):0.6229750000000001±0.02341
Plate Z-Factor:0.8764
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DBLink | Rows returned: 291[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [49]
537145 9-oxononyl acetate
537181 methyl 9-acetyloxyhenicosanoate
537188 methyl
4-(3,12-diacetyloxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-17
-yl)pentanoate
537634 [4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclope
nta[a]phenanthren-3-yl] acetate
537642 (2-methyl-6-oxo-heptyl) acetate
537924 methyl 8-acetyloxyoctanoate

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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