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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 31 32 33 34 35 36 37 38 39 40  Next >> [42]
Species: 4932
Condition: RIC1
Replicates: 2
Raw OD Value: r im 0.4613±0.0246073
Normalized OD Score: sc h 0.8146±0.0324848
Z-Score: -4.0146±0.10128
p-Value: 0.0000621688
Z-Factor: -0.100326
Fitness Defect: 9.6857
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2006-03-18 YYYY-MM-DD
Plate CH Control (+):0.03915±0.00149
Plate DMSO Control (-):0.5745±0.02138
Plate Z-Factor:0.8928
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DBLink | Rows returned: 10<< Back 1 2
376537
454890
454892
623060

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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