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Compound InformationSONAR Target prediction
Name:

NISOLDIPINE

Unique Identifier:SPE01505390
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H24N2O6
Molecular Weight:364.224 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[O-][N+](=O)c1ccccc1C1C(=C(C)NC(C)=C1C(=O)OCC(C)C)C(=O)OC
Source:synthetic; bayk-5552
Therapeutics:vasodilator (coronary)

Found: 93 active | as graph: single | with analogs [1] << Back 81 82 83 84 85 86 87 88 89 90  Next >> [93]
Species: 4932
Condition: NPR1
Replicates: 2
Raw OD Value: r im 0.5708±0.168291
Normalized OD Score: sc h 0.5611±0.162762
Z-Score: -12.6600±6.39349
p-Value: 1.99116e-16
Z-Factor: -0.31727
Fitness Defect: 36.1526
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:10|A5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.003825±0.00323
Plate DMSO Control (-):1.0029±0.02879
Plate Z-Factor:0.9058
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5071 | Additional Members: 12 | Rows returned: 2
SPE01500431 0
LOPAC 00213 0

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