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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 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: RSC2
Replicates: 2
Raw OD Value: r im 0.3606±0.0247487
Normalized OD Score: sc h 0.9849±0.01242
Z-Score: -0.4110±0.357009
p-Value: 0.690524
Z-Factor: -18.7263
Fitness Defect: 0.3703
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.042425±0.00062
Plate DMSO Control (-):0.36002500000000004±0.01486
Plate Z-Factor:0.8088
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DBLink | Rows returned: 188[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [32]
6427287 [(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydr
o-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427290 [(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-4,5,6-trimethylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dod
ecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427327 [(3S,10R,13R)-10,13-dimethyl-17-[(E,2R)-5-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydr
o-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427329 [10,13-dimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate
6427343 [(3S,10R,13R)-17-[(E,2S)-5,6-dimethylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodeca
hydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
6427344 [(3S,10R,13R)-17-[(E,2S)-5-ethyl-6-methyl-hept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-d
odecahydro-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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