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Compound InformationSONAR Target prediction
Name:

ERGOSTA-7,22-DIEN-3-ONE

Unique Identifier:SPE01800109
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:8.157  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C
Class:sterol
Source:Fomes & Coriolis spp.
Reference:J Chem Soc (C)1971:685

Found: 192 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [192]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6587±0.00183848
Normalized OD Score: sc h 1.0067±0.0103346
Z-Score: 1.6214±0.625385
p-Value: 0.138676
Z-Factor: -2.7559
Fitness Defect: 1.9756
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041475000000000005±0.00169
Plate DMSO Control (-):0.6455±0.01334
Plate Z-Factor:0.9220
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DBLink | Rows returned: 124<< Back 11 12 13 14 15 16 17 18 19 20  Next >> 
5364566 17-[(E)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclope
nta[a]phenanthren-3-one
5364717 (E)-henicos-6-en-11-one
5365655 1-[(4E)-1-cyclooct-4-enyl]propan-1-one
5369117 1-[(4E)-1-cyclooct-4-enyl]ethanone
5377822 17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a
]phenanthren-3-one
5487443 (5R,9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-1,2,4,5,6,9,11,12,14,15
,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 5
SPE00300166 0.9167
JFD 02026 0.9189
SPE01500849 0.9189
NRB 03735 0.9706
NRB 03822 0.9706

active | Cluster 5085 | Additional Members: 3 | Rows returned: 1
SPE00200743 0

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