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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: BCK2
Replicates: 2
Raw OD Value: r im 0.7566±0.00282843
Normalized OD Score: sc h 1.0349±0.000454069
Z-Score: 1.4806±0.203824
p-Value: 0.142803
Z-Factor: -0.739428
Fitness Defect: 1.9463
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.037875±0.00166
Plate DMSO Control (-):0.730375±0.01398
Plate Z-Factor:0.9595
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DBLink | Rows returned: 124<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
535365 10,13-dimethyl-1,4,5,6,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
536974 4,4,10,13,14-pentamethyl-17-(6-methylheptan-2-yl)-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenant
hren-3-one
537045 10,13,14-trimethyl-17-(6-methylheptan-2-yl)-2,4,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthr
en-3-one
541353 4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-2,5,6,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phena
nthren-3-one
548712 n/a
556249 1,3,3a,4,7,7a-hexahydroinden-2-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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