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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: 203 nonactive | as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [203]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8805±0.0316784
Normalized OD Score: sc h 1.0128±0.00518832
Z-Score: 1.2861±0.124133
p-Value: 0.200134
Z-Factor: -0.0492047
Fitness Defect: 1.6088
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|A11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09500000000000001±0.00499
Plate DMSO Control (-):0.9662500000000002±0.02709
Plate Z-Factor:0.8736
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DBLink | Rows returned: 1302 3 4 5 6 7 8 9 10  Next >> [22]
1333 (10-hydroxy-2,3,4,4a,5,6,7,8,8a,9a,10,10a-dodecahydro-1H-anthracen-9-ylidene)oxidanium
10570 (3S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthr
en-17-one
28539 4-hydroxy-4-methyl-cyclohexan-1-one
36653 4-hydroxydecalin-1-one
64184 5-hydroxyadamantan-2-one
65529 (3R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro
cyclopenta[a]phenanthren-17-one

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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