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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE HEMISUCCINATE

Unique Identifier:SPE01500339
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:428.263 g/mol
X log p:-1.51  (online calculus)
Lipinksi Failures0
TPSA77.51
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)COC(=O)CCC(O)=O)C3(C)CC(O)C12
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: TFP1
Replicates: 2
Raw OD Value: r im 0.7322±0.0059397
Normalized OD Score: sc h 1.0025±0.00871256
Z-Score: 0.1064±0.365918
p-Value: 0.79696
Z-Factor: -936.542
Fitness Defect: 0.227
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:12|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-08-31 YYYY-MM-DD
Plate CH Control (+):0.0413±0.00085
Plate DMSO Control (-):0.68825±0.03094
Plate Z-Factor:0.8600
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DBLink | Rows returned: 24<< Back 1 2 3 4
7060957 4-[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-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate
7060958 4-[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-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
7060959 4-[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-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate
7060960 4-[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-decahydr
o-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
16051983 sodium
4-[[(8R,9R,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,
15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoate
16051984 4-[[(8R,9R,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,
15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoic acid

internal high similarity DBLink | Rows returned: 5
SPE01503723 0.9121
NRB 03740 0.9167
SPE01500338 0.9167
SPE01503273 0.9524
LOPAC 00944 1.0000

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