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Compound InformationSONAR Target prediction
Name:

7-OXOCHOLESTERYL ACETATE

Unique Identifier:SPE00307035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:396.309 g/mol
X log p:2.529  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3=O)OC(C)=O
Class:sterol
Source:Cliona copiosa
Reference:J Nat Prod 55:1588 (1992)

Found: 192 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [192]
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.4658±0.00226274
Normalized OD Score: sc h 1.0088±0.00418758
Z-Score: 0.2252±0.10181
p-Value: 0.822304
Z-Factor: -9.4045
Fitness Defect: 0.1956
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00053
Plate DMSO Control (-):0.458625±0.01980
Plate Z-Factor:0.8648
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DBLink | Rows returned: 17<< Back 1 2 3
7118133 [(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7118138 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7118143 [(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7173405 [(3S,8S,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
7173406 [(3S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 2
SB 01787 0.9041
SPE00270029 0.9041

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