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Compound InformationSONAR Target prediction
Name:

Hydrocortisone 21-hemisuccinate sodium

Unique Identifier:LOPAC 00944
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H33NaO8
Molecular Weight:454.276 g/mol
X log p:-1.279  (online calculus)
Lipinksi Failures0
TPSA100.57
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:[Na+].[O-]C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
Class:Hormone
Selectivity:Cortisol

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.7043±0.0435578
Normalized OD Score: sc h 1.0069±0.017817
Z-Score: 0.1769±0.624704
p-Value: 0.66365
Z-Factor: -8.59118
Fitness Defect: 0.41
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|G4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044625±0.00104
Plate DMSO Control (-):0.66255±0.04593
Plate Z-Factor:0.8870
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DBLink | Rows returned: 24<< Back 1 2 3 4 Next >> 
6604111 sodium
4-[2-[(8S,9S,10S,11R,13R,14R,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
6604112 4-[2-[(8S,9S,10S,11R,13R,14R,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
7060953 4-[2-[(8S,9R,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
7060954 4-[2-[(8S,9R,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
7060955 4-[2-[(8R,9R,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
7060956 4-[2-[(8R,9R,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

internal high similarity DBLink | Rows returned: 5
SPE01503723 0.9121
SPE01500338 0.9167
NRB 03740 0.9186
SPE01503273 0.9524
SPE01500339 1.0000

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