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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8435±0.00296985
Normalized OD Score: sc h 0.9900±0.00233349
Z-Score: 0.6541±0.114
p-Value: 0.514406
Z-Factor: -4.15308
Fitness Defect: 0.6647
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|B9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08325±0.00411
Plate DMSO Control (-):0.9702500000000001±0.02742
Plate Z-Factor:0.9018
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DBLink | Rows returned: 188[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [32]
7568314 [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-(5-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-3-yl] acetate
7568318 [(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-(5-methylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-3-yl] acetate
7801631 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahyd
ro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7801632 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahyd
ro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7801646 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahyd
ro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7801647 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-pentan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahyd
ro-1H-cyclopenta[a]phenanthren-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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