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Compound InformationSONAR Target prediction
Name:

HYDROCORTISONE BUTYRATE

Unique Identifier:SPE01503273
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:397.272 g/mol
X log p:-0.605  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:6
Canonical Smiles:CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C(=O)CO
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: CHS5
Replicates: 2
Raw OD Value: r im 0.7761±0.000424264
Normalized OD Score: sc h 1.0066±0.00230514
Z-Score: 0.3218±0.120408
p-Value: 0.748508
Z-Factor: -4.22946
Fitness Defect: 0.2897
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|F7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-03-28 YYYY-MM-DD
Plate CH Control (+):0.039025000000000004±0.00310
Plate DMSO Control (-):0.74915±0.00945
Plate Z-Factor:0.9610
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DBLink | Rows returned: 6
3642 [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] butanoate
26133 [(8S,9S,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] butanoate
42395 [(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclop
enta[a]phenanthren-17-yl] pentanoate
5225092 [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] pentanoate
5282494 [(8S,9S,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] pentanoate
5702240 [(8S,10R,11S,13S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-deca
hydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

internal high similarity DBLink | Rows returned: 4
LOPAC 00944 0.9524
SPE01500339 0.9524
NRB 03740 0.9625
SPE01500338 0.9625

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