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Compound InformationSONAR Target prediction
Name:

3-ACETOXYPREGN-16-EN-12,20-DIONE

Unique Identifier:SPE00100580
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:341.252 g/mol
X log p:1.777  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)C(=O)CC32)C1
Source:derivative

Found: 188 nonactive | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [188]
Species: 4932
Condition: CTF18
Replicates: 2
Raw OD Value: r im 0.5952±0.00205061
Normalized OD Score: sc h 0.9991±0.00573974
Z-Score: -0.0574±0.264079
p-Value: 0.852112
Z-Factor: -16.4797
Fitness Defect: 0.16
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2007-11-01 YYYY-MM-DD
Plate CH Control (+):0.0414±0.00053
Plate DMSO Control (-):0.5828249999999999±0.10222
Plate Z-Factor:0.4048
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DBLink | Rows returned: 2
4521655 (17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate
6708548 [(3S,5S,10S,13S)-17-acetyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15-dodecahydrocyclopenta[a]phen
anthren-3-yl] acetate

internal high similarity DBLink | Rows returned: 2
NRB 03689 0.9242
SPE00300034 0.9242

active | Cluster 11313 | Additional Members: 1 | Rows returned: 0

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