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Compound InformationSONAR Target prediction
Name:

Cortexolone

Unique Identifier:LOPAC 01179
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O4
Molecular Weight:319.246 g/mol
X log p:0.635  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO
Class:Hormone
Action:Precursor
Selectivity:Cortisol

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: NOP13
Replicates: 2
Raw OD Value: r im 0.6676±0.011243
Normalized OD Score: sc h 0.9685±0.0121294
Z-Score: -1.4454±0.357049
p-Value: 0.161205
Z-Factor: -4.21847
Fitness Defect: 1.8251
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-22 YYYY-MM-DD
Plate CH Control (+):0.046925±0.00043
Plate DMSO Control (-):0.6651±0.03004
Plate Z-Factor:0.8516
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DBLink | Rows returned: 162 3 Next >> 
9050 (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]
phenanthren-3-one
227112 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenan
thren-3-one
252011 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]ph
enanthren-3-one
440707 (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one
657187 (8R,9S,10S,13S,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one
5318189 (10R,13S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,14-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclop
enta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 15<< Back 1 2 3 Next >> 
NRB 03896 0.9348
NRB 03850 0.9348
NRB 03833 0.9348
NRB 03703 0.9348
NRB 03676 0.9348
NRB 03662 0.9348

active | Cluster 13537 | Additional Members: 14 | Rows returned: 4
SPE01500343 0.421052631578947
LOPAC 00859 0.375
SPE01503221 0.353846153846154
SPE01701060 0

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