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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 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.4622±0.02885
Normalized OD Score: sc h 0.8685±0.0250602
Z-Score: -4.2861±0.56662
p-Value: 0.0000524654
Z-Factor: 0.0218211
Fitness Defect: 9.8554
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.040775±0.00514
Plate DMSO Control (-):0.52325±0.00885
Plate Z-Factor:0.9348
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DBLink | Rows returned: 291[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [49]
287611 3-(3-acetyloxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17
-yl)butanoic acid
289084 (7,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)
acetate
296381 (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3
-yl) acetate
301492 n/a
313025 2-(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)propanoic acid
313071 methyl
2-(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)propanoate

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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