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Compound InformationSONAR Target prediction
Name:

HOMOPTEROCARPIN

Unique Identifier:SPE00100743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.193  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1ccc2C3Oc4cc(OC)ccc4C3COc2c1
Class:benzopyran
Source:mp 82-84 C; Pterocarpus santalinus
Reference:J Chem Soc 1940:787

Found: 42 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [42]
Species: 4932
Condition: MET16
Replicates: 2
Raw OD Value: r im 0.6011±0.0079196
Normalized OD Score: sc h 0.9068±0.00857565
Z-Score: -4.7074±0.381943
p-Value: 0.00000487598
Z-Factor: -3.50623
Fitness Defect: 12.2312
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-10-18 YYYY-MM-DD
Plate CH Control (+):0.04005±0.00048
Plate DMSO Control (-):0.6506000000000001±0.06275
Plate Z-Factor:0.6639
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DBLink | Rows returned: 101 2 Next >> 
73067
101795
184978
184979
336327
364159

internal high similarity DBLink | Rows returned: 0

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE01401019 0.393939393939394
SPE00201654 0

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