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Compound InformationSONAR Target prediction
Name:

DIHYDROXY (3alpha,12alpha)PREGNAN-20-ONE

Unique Identifier:SPE00100652
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:300.223 g/mol
X log p:-0.683  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C
Class:sterol
Source:semisynthetic

Found: 2 active | as graph: single | with analogs << Back 1 2
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.6503±0.0270115
Normalized OD Score: sc h 1.2645±0.0195094
Z-Score: 4.2764±0.525667
p-Value: 0.0000488426
Z-Factor: 0.496256
Fitness Defect: 9.9269
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00117
Plate DMSO Control (-):0.61475±0.01562
Plate Z-Factor:0.8810
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DBLink | Rows returned: 130[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [22]
627599 6-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dion
e
627689 6,17-dihydroxy-10,13-dimethyl-6-pentyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant
hren-3-one
631915 n/a
667488 (1R,3S)-5-hydroxyadamantan-2-one
1712653 (2S,4R,5S)-4-hydroxy-2,5-ditert-butyl-cyclohexan-1-one
2387089 1-[(5R,7S)-3-hydroxy-1-adamantyl]ethanone

internal high similarity DBLink | Rows returned: 3
JFD 02336 1.0000
SPE00270083 1.0000
SPE00300110 1.0000

active | Cluster 17389 | Additional Members: 4 | Rows returned: 1
SPE00100303 0

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