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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 [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7894±0.00947523
Normalized OD Score: sc h 1.0426±0.00238738
Z-Score: 1.6155±0.0718778
p-Value: 0.106654
Z-Factor: -1.81183
Fitness Defect: 2.2382
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.04295±0.00213
Plate DMSO Control (-):0.726725±0.03544
Plate Z-Factor:0.8623
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DBLink | Rows returned: 145[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [25]
101771 2-hydroxy-1-[(3R,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-te
tradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
101773 1-[(3R,5R,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradec
ahydrocyclopenta[a]phenanthren-17-yl]ethanone
107283 11-hydroxyicosan-10-one
107284 9-hydroxyhexadecan-8-one
107286 10-hydroxyoctadecan-9-one
109330 6-butyl-6-hydroxy-dodecan-5-one

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

active | Cluster 17389 | Additional Members: 4 | Rows returned: 2
SPE00100652 0.4
SPE00100303 0

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