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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 71 72 73 74 75 76 77 78 79 80  Next >> [93]
Species: 4932
Condition: TRK1
Replicates: 2
Raw OD Value: r im 0.4263±0.0103945
Normalized OD Score: sc h 0.8521±0.00460318
Z-Score: -4.5679±0.121708
p-Value: 0.000005328
Z-Factor: 0.156504
Fitness Defect: 12.1425
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00042
Plate DMSO Control (-):0.472325±0.01810
Plate Z-Factor:0.8564
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 5071 | Additional Members: 12 | Rows returned: 3
SPE01500431 0
LOPAC 00213 0
Prest357 0

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