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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 191 192 193 194 195 196 197 198 199 200  Next >> [205]
Species: 4932
Condition: VBA3
Replicates: 2
Raw OD Value: r im 0.6732±0.00127279
Normalized OD Score: sc h 1.0011±0.00106334
Z-Score: 0.0562±0.0562992
p-Value: 0.955254
Z-Factor: -10.5658
Fitness Defect: 0.0458
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-03-12 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00079
Plate DMSO Control (-):0.650025±0.01494
Plate Z-Factor:0.9180
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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

nonactive | Cluster 10196 | Additional Members: 12 | Rows returned: 102 Next >> 
Prest672 0.392405063291139
LOPAC 00759 0.392405063291139
SPE01505438 0.352272727272727
SPE01500339 0.2625
LOPAC 00944 0.243589743589744
SPE01500338 0.223684210526316

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