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Compound InformationSONAR Target prediction
Name:

ERGOSTEROL ACETATE

Unique Identifier:SPE00200744
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:416.341 g/mol
X log p:9.421  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:6
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4C(C)(C)C(CCC4(C)C3CCC12C)OC(C)=O
Class:sterol
Source:derivative; mp 179-181 C

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 1.0120±0
Normalized OD Score: sc h 0.9986±0
Z-Score: 1.1000±0
p-Value: 0.271332
Z-Factor: -6.75238
Fitness Defect: 1.3044
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:15|F9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.107±0.00794
Plate DMSO Control (-):0.9905±0.02200
Plate Z-Factor:0.8983
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DBLink | Rows returned: 91 2 Next >> 
281927 [17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phen
anthren-3-yl] acetate
4035379 [17-(5,6-dimethylhept-3-en-2-yl)-4,4,10,13-tetramethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta[a]p
henanthren-3-yl] acetate
4206521 [17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a
]phenanthren-3-yl] acetate
5363270 [17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]
phenanthren-3-yl] acetate
5379846 [10,13-dimethyl-17-[(E)-7-methyl-5-propan-2-yl-oct-5-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyc
lopenta[a]phenanthren-3-yl] acetate
5993710 [17-[(E)-5,6-dimethylhept-3-en-2-yl]-4,4,10,13-tetramethyl-1,2,3,9,11,12,14,15,16,17-decahydrocyclopenta
[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 0

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

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