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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 41 42 43 44 45 46 47 48 49 50  Next >> [192]
Species: 4932
Condition: LCB3
Replicates: 2
Raw OD Value: r im 0.8168±0.000636396
Normalized OD Score: sc h 1.0074±0.00258075
Z-Score: 0.4065±0.133842
p-Value: 0.685692
Z-Factor: -4.36994
Fitness Defect: 0.3773
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-31 YYYY-MM-DD
Plate CH Control (+):0.039325±0.00139
Plate DMSO Control (-):0.8006749999999999±0.01285
Plate Z-Factor:0.9479
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DBLink | Rows returned: 171 2 3 Next >> 
101861 [(3S,8S,9S,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
287665 (10-methyl-7-oxo-17-propan-2-yl-2,3,4,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3
-yl) acetate
287666 [10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phe
nanthren-3-yl] acetate
536625 (4,4,10,13-tetramethyl-7-oxo-2,3,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl)
acetate
540873 (10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate
541078 (17-acetyl-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate

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

nonactive | Cluster 15449 | Additional Members: 9 | Rows returned: 2
SPE00107023 0.210526315789474
SPE00307031 0

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