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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: IKI3
Replicates: 2
Raw OD Value: r im 0.6643±0.00120208
Normalized OD Score: sc h 1.0030±0.00316641
Z-Score: 0.1353±0.154018
p-Value: 0.893004
Z-Factor: -14.2343
Fitness Defect: 0.1132
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-06-12 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00139
Plate DMSO Control (-):0.6509±0.01651
Plate Z-Factor:0.9170
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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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