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Compound InformationSONAR Target prediction
Name:

LONCHOCARPIC ACID

Unique Identifier:SPE00300228
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:408.275 g/mol
X log p:15.059  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1c2C=CC(C)(C)Oc2c(CC=C(C)C)c2OC(=O)C(=C(O)c21)c1ccc(O)cc1
Class:coumarin
Source:Lonchocarpus and Derris spp.
Reference:J Org Chem 8:489, 493 (1943); J Chem Soc(C) 1969:334

Found: 130 active | as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [130]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.2256±0.0292742
Normalized OD Score: sc h 0.4095±0.0231939
Z-Score: -12.4320±0.56848
p-Value: 1.23561e-33
Z-Factor: 0.55241
Fitness Defect: 75.7737
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:3|C9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038375±0.00132
Plate DMSO Control (-):0.612475±0.03949
Plate Z-Factor:0.7598
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE00300348 0.9946

active | Cluster 7918 | Additional Members: 2 | Rows returned: 0
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