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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 211 212 213 214 215 216 217 218 219 220  Next >> [226]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.3443±0.0100409
Normalized OD Score: sc h 0.4202±0.0170791
Z-Score: -34.7716±0.986079
p-Value: 0
Z-Factor: -0.320227
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:13|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-08-22 YYYY-MM-DD
Plate CH Control (+):0.040825±0.00114
Plate DMSO Control (-):0.54945±0.01288
Plate Z-Factor:0.9177
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DBLink | Rows returned: 162[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
7002019 (4R)-4-[(3S,8R,9R,10R,13R,14R,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]pentanoate
7002020 (4R)-4-[(3S,8R,9R,10R,13R,14R,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]pentanoic acid
7002021 (4R)-4-[(3S,8R,9S,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]pentanoate
7002022 (4R)-4-[(3S,8R,9S,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]pentanoic acid
7002023 (4R)-4-[(3S,8R,9S,10R,13R,14R,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]pentanoate
7002024 (4R)-4-[(3S,8R,9S,10R,13R,14R,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]pentanoic acid

internal high similarity DBLink | Rows returned: 82 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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