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Compound InformationSONAR Target prediction
Name:

DESOXYCORTICOSTERONE ACETATE

Unique Identifier:SPE00300029
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:340.244 g/mol
X log p:1.899  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C
Source:adrenocortex
Therapeutics:mineralocorticoid

Found: 34 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [34]
Species: 4932
Condition: SPT3
Replicates: 2
Raw OD Value: r im 0.2901±0.0039598
Normalized OD Score: sc h 0.5596±0.000855748
Z-Score: -7.0799±0.275575
p-Value: 0.0000000000030624
Z-Factor: 0.765297
Fitness Defect: 26.5118
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-02-13 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00078
Plate DMSO Control (-):0.48045000000000004±0.01621
Plate Z-Factor:0.9048
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DBLink | Rows returned: 50<< Back 1 2 3 4 5 6 7 8 9 Next >> 
62992 [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate
86543 (17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate
134963 [(8R,9S,10R,13S,14S,17R)-17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a
]phenanthren-17-yl] acetate
229869 [2-(2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydropicen-2-yl)-2-ox
o-ethyl] acetate
241767 [(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclope
nta[a]phenanthren-17-yl] acetate
266116 (17-acetyl-4,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate

internal high similarity DBLink | Rows returned: 2
SPE01500343 0.9710
SPE01500379 1.0000

active | Cluster 2094 | Additional Members: 20 | Rows returned: 6
SPE00300034 0.375
SPE00307023 0.348484848484849
SPE01500508 0
LAT002C06 0
LAT005F10 0
LOPAC 01120 0

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