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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE ACETATE

Unique Identifier:SPE01500338
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:-0.682  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CCR4
Replicates: 2
Raw OD Value: r im 0.6532±0.00452548
Normalized OD Score: sc h 1.0338±0.0254342
Z-Score: 1.4422±1.0921
p-Value: 0.264842
Z-Factor: -5.73546
Fitness Defect: 1.3286
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.80 Celcius
Date:2008-04-16 YYYY-MM-DD
Plate CH Control (+):0.041725±0.00048
Plate DMSO Control (-):0.6106499999999999±0.02837
Plate Z-Factor:0.8421
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DBLink | Rows returned: 24<< Back 1 2 3 4
7093122 [2-[(8R,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-
1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7093500 [2-[(6S,8S,9R,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7213561 [2-[(5R,8S,9S,10S,11R,13S,14R,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7213562 [2-[(5R,8S,9S,10S,11R,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7213564 [2-[(5R,8R,9S,10S,11R,13S,14R,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
7213565 [2-[(5R,8R,9S,10S,11R,13S,14S,16R,17R)-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-5,6,7,8,9,11,12,14,15,16
-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

internal high similarity DBLink | Rows returned: 72 Next >> 
SPE01500497 0.9048
SPE01503254 0.9048
TL 00535 0.9048
LOPAC 00944 0.9167
SPE01500339 0.9167
SPE01503273 0.9625

active | Cluster 10196 | Additional Members: 12 | Rows returned: 0

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