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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: GIM3
Replicates: 2
Raw OD Value: r im 0.7497±0.0205061
Normalized OD Score: sc h 1.0165±0.00731812
Z-Score: 0.5122±0.194505
p-Value: 0.61186
Z-Factor: -3.87895
Fitness Defect: 0.4913
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|D3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-03-15 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00196
Plate DMSO Control (-):0.73515±0.01926
Plate Z-Factor:0.8997
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DBLink | Rows returned: 188[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [32]
3782165 (10,13-dimethyl-17-pentan-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-y
l) acetate
3892665 n/a
4102928 (10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
4113055 (10,13-dimethyl-17-methylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate
4129886 [11-acetyloxy-17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1
H-cyclopenta[a]phenanthren-3-yl] acetate
4197836 [17-(5,6-dimethylhept-3-en-2-yl)-7,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[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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