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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 Next >> [23]
Species: 4932
Condition: SER1
Replicates: 2
Raw OD Value: r im 0.4321±0.0374767
Normalized OD Score: sc h 0.7131±0.0326848
Z-Score: -9.0273±0.781782
p-Value: 1.18068e-17
Z-Factor: -0.83598
Fitness Defect: 38.9779
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2007-09-17 YYYY-MM-DD
Plate CH Control (+):0.0399±0.00047
Plate DMSO Control (-):0.589025±0.06861
Plate Z-Factor:0.5839
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DBLink | Rows returned: 291[1] << Back 41 42 43 44 45 46 47 48 49 Next >> [49]
7173448 methyl
(4S)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-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
7173449 methyl
(4S)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-diacetyloxy-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
7203533 (4R)-4-[(3R,5R,8R,9R,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
7203534 (4R)-4-[(3R,5R,8R,9R,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
7203535 (4R)-4-[(3R,5R,8R,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
7203536 (4R)-4-[(3R,5R,8R,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

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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