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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 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: HXT1
Replicates: 2
Raw OD Value: r im 0.7170±0.00113137
Normalized OD Score: sc h 1.0122±0.00720593
Z-Score: 0.6416±0.367143
p-Value: 0.535004
Z-Factor: -5.71828
Fitness Defect: 0.6255
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.40 Celcius
Date:2007-11-27 YYYY-MM-DD
Plate CH Control (+):0.0411±0.00090
Plate DMSO Control (-):0.6958249999999999±0.02214
Plate Z-Factor:0.8873
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DBLink | Rows returned: 188[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [32]
313262 [6-(3-acetyloxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren
-17-yl)-2,5-dimethyl-heptyl] acetate
314396 [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]p
henanthren-3-yl] acetate
519264 (17-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)
acetate
520279 [10,13-dimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate
521199 [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-3-yl] acetate
523621 [10,13-dimethyl-17-(6-methylhept-3-en-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 71 2 Next >> 
BTB 13785 0.9254
NRB 03707 0.9254
SB 01787 0.9394
SPE00270029 0.9394
BTB 01201 1.0000
NRB 03882 1.0000

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