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Compound InformationSONAR Target prediction
Name:

3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one

Unique Identifier:LOPAC 01126
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O3
Molecular Weight:301.231 g/mol
X log p:-0.154  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12
Class:GABA
Action:Modulator
Selectivity:GABA-A

Found: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7945±0.042591
Normalized OD Score: sc h 0.9780±0.0427759
Z-Score: -0.7518±1.67739
p-Value: 0.293728
Z-Factor: -58.1442
Fitness Defect: 1.2251
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04828125±0.00201
Plate DMSO Control (-):0.7658250000000002±0.03188
Plate Z-Factor:0.8701
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DBLink | Rows returned: 145[1] << Back 21 22 23 24 25
11775817 1-[(1R,3aS,4R,7aS)-4-hydroxy-1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydro-1H-inden-4-yl]ethanone

internal high similarity DBLink | Rows returned: 1
RJC 02364 1.0000

nonactive | Cluster 17389 | Additional Members: 4 | Rows returned: 3
SPE00100652 0.4
LOPAC 01166 0
SPE00100303 0

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