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Compound InformationSONAR Target prediction
Name:

PRASTERONE ACETATE

Unique Identifier:SPE00270029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:1.393  (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
Source:semisynthetic
Therapeutics:adrenocortical hormone, antidepressant

Found: 226 active | as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [226]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.5712±0.0236881
Normalized OD Score: sc h 0.8838±0.0372522
Z-Score: -4.4262±1.47159
p-Value: 0.000355086
Z-Factor: -27.1862
Fitness Defect: 7.9432
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00082
Plate DMSO Control (-):0.6394500000000001±0.16604
Plate Z-Factor:0.0812
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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: 81 2 Next >> 
SPE00307035 0.9041
BTB 01201 0.9394
NRB 03882 0.9394
SPE00107023 0.9394
SPE00307031 0.9394
BTB 13785 0.9851

active | Cluster 7902 | Additional Members: 9 | Rows returned: 3
SPE01505123 0.435897435897436
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

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