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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.7082±0.00424264
Normalized OD Score: sc h 1.0203±0.00210638
Z-Score: 1.0373±0.158018
p-Value: 0.302626
Z-Factor: -2.84876
Fitness Defect: 1.1953
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00181
Plate DMSO Control (-):0.6716±0.01301
Plate Z-Factor:0.9280
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DBLink | Rows returned: 241 2 3 4 Next >> 
3641 [2-(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
5744 [2-[(8S,9S,10R,11S,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
102056 [2-[(8S,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
105029 [2-[(8S,9S,10R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
223250 [2-[(2R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-2,10,13-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
227848 [2-[(6S,8S,9S,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

internal high similarity DBLink | Rows returned: 71 2 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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