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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: MCK1
Replicates: 2
Raw OD Value: r im 0.5112±0.0212839
Normalized OD Score: sc h 0.8479±0.0400073
Z-Score: -6.5406±2.20991
p-Value: 0.000000321284
Z-Factor: -2.86974
Fitness Defect: 14.9509
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00061
Plate DMSO Control (-):0.587375±0.07184
Plate Z-Factor:0.5847
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
538376 methyl 16-acetyloxyheptadecanoate
538540 n/a
538548 n/a
539892 methyl 6-acetyloxytridecanoate
539893 methyl 6-acetyloxytetradecanoate
540067 methyl 7-acetyloxytridecanoate

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

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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