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Compound InformationSONAR Target prediction
Name:

PREGNENOLONE SUCCINATE

Unique Identifier:SPE01505713
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25H36O5
Molecular Weight:380.264 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC21C)OC(=O)CCC(O)=O
Source:semisynthetic
Therapeutics:glucocortcoid, antiinflammatory

Found: 12 active | as graph: single | with analogs << Back 11 12 Next >> 
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.3936±0.00650538
Normalized OD Score: sc h 0.8039±0.0108065
Z-Score: -6.0562±0.361414
p-Value: 0.00000000344076
Z-Factor: 0.305493
Fitness Defect: 19.4876
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.040625±0.00056
Plate DMSO Control (-):0.47545000000000004±0.01659
Plate Z-Factor:0.8769
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6
SPE01505123 0.435897435897436
Prest1157 0.405797101449275
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
Prest859 0.276923076923077
LOPAC 00530 0.227272727272727

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