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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 141 142 143 144 145 146 147 148 149 150  Next >> [205]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.7230±0.0013435
Normalized OD Score: sc h 1.0021±0.0029549
Z-Score: 0.0952±0.136504
p-Value: 0.923452
Z-Factor: -13.1034
Fitness Defect: 0.0796
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.03975±0.00057
Plate DMSO Control (-):0.69785±0.01882
Plate Z-Factor:0.9297
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DBLink | Rows returned: 188[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [32]
7087013 [(3S,8R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-d
odecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
7092588 [(3S,8S,9R,10R,13S,14R,17R)-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
7092589 [(3S,8S,9S,10R,13S,14R,17R)-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
7092590 [(3S,8S,9R,10R,13S,14S,17R)-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
7093897 [(3R,8S,9S,10R,13S,14S,17R)-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
7093898 [(3S,8S,9S,10R,13S,14S,17R)-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: 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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