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Compound InformationSONAR Target prediction
Name:

Dehydroisoandosterone 3-acetate

Unique Identifier:Prest1157
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O3
Molecular Weight:303.247 g/mol
X log p:1.624  (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)C3CCC4(C)C(CCC4=O)C3CC=C2C1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 843.0000±0
Normalized OD Score: sc h 0.8808±0
Z-Score: -2.6869±0
p-Value: 0.00721282
Z-Factor: -6.84897
Fitness Defect: 4.9319
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:12|F8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):758.5±653.58671
Plate DMSO Control (-):822.5±277.54018
Plate Z-Factor:-66.6597
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DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
7076394 [(3S,8R,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7076395 [(3S,8R,9R,10R,13R,14R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7076396 [(3S,8R,9S,10R,13R,14R,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
7079538 ethyl
(3R)-3-[(3S,8S,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate
7079539 ethyl
(3S)-3-[(3S,8S,9R,10R,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate
7079540 ethyl
(3R)-3-[(3S,8S,9R,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 7902 | Additional Members: 9 | Rows returned: 4
SPE01505123 0.435897435897436
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

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