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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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.6122±0.0364486
Normalized OD Score: sc h 1.2933±0.377446
Z-Score: 4.9651±6.14898
p-Value: 0.073543
Z-Factor: -3.0218
Fitness Defect: 2.6099
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0453±0.00117
Plate DMSO Control (-):0.635275±0.14583
Plate Z-Factor:0.0916
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DBLink | Rows returned: 145[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [25]
4231760 2-hydroxy-2-methyl-4-tert-butyl-cyclohexan-1-one
4286359 3-acetyl-3-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-1
7-one
4308580 1-(1-adamantyl)-2-hydroxy-propan-1-one
4577356 2-hydroxycyclohexadecan-1-one
4614436 1-(17-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-
yl)ethanone
4662618 1-cyclohexyl-1-hydroxy-propan-2-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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