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Compound InformationSONAR Target prediction
Name:

ESCULETIN

Unique Identifier:SPE01500899
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:172.094 g/mol
X log p:8.826  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:Oc1cc2OC(=O)C=Cc2cc1O
Class:coumarin
Source:Aesculus and Solanaceae spp
Therapeutics:antifungal

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.7000±0.0383959
Normalized OD Score: sc h 0.9950±0.00571296
Z-Score: -0.1013±0.111431
p-Value: 0.919552
Z-Factor: -20.3855
Fitness Defect: 0.0839
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038775000000000004±0.00221
Plate DMSO Control (-):0.673625±0.01379
Plate Z-Factor:0.9421
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DBLink | Rows returned: 1
5281416 6,7-dihydroxychromen-2-one

internal high similarity DBLink | Rows returned: 4
NRB 03190 0.9072
SPE01504069 0.9167
LOPAC 00840 0.9348
SPE01502242 0.9462

active | Cluster 16508 | Additional Members: 6 | Rows returned: 0

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