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Compound InformationSONAR Target prediction
Name:

CHOLESTERYL ACETATE

Unique Identifier:SPE00307031
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:380.309 g/mol
X log p:3.511  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:7
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
Class:sterol
Source:animal tissue; derivative

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: STO1
Replicates: 2
Raw OD Value: r im 0.6190±0.013435
Normalized OD Score: sc h 0.9946±0.0165089
Z-Score: -0.1966±0.58995
p-Value: 0.682408
Z-Factor: -149.896
Fitness Defect: 0.3821
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-12-06 YYYY-MM-DD
Plate CH Control (+):0.041249999999999995±0.00069
Plate DMSO Control (-):0.596125±0.02083
Plate Z-Factor:0.8766
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DBLink | Rows returned: 1882 3 4 5 6 7 8 9 10  Next >> [32]
11786 [(3S,9S,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy
clopenta[a]phenanthren-3-yl] acetate
15921 [17-(5-ethyl-6-methyl-hept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
99469 [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
102150 [(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo
penta[a]phenanthren-3-yl] acetate
102203 [(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclo
penta[a]phenanthren-17-yl] acetate
102205 [(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl] acetate

internal high similarity DBLink | Rows returned: 7<< Back 1 2
SPE00107023 1.0000

active | Cluster 15449 | Additional Members: 9 | Rows returned: 0

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