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Compound InformationSONAR Target prediction
Name:

ROBUSTIC ACID METHYL ETHER

Unique Identifier:SPE00240660
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23H22O6
Molecular Weight:372.242 g/mol
X log p:15.454  (online calculus)
Lipinksi Failures1
TPSA63.22
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C1C(=O)Oc2cc3OC(C)(C)C=Cc3c(OC)c2C=1OC
Source:ex Derris spp; mp 194--196 C

Found: 503 nonactive | as graph: single | with analogs [1] << Back 421 422 423 424 425 426 427 428 429 430  Next >> [503]
Species: 4932
Condition: CLN2
Replicates: 2
Raw OD Value: r im 0.6320±0.00537401
Normalized OD Score: sc h 0.9577±0.00623379
Z-Score: -1.9050±0.375902
p-Value: 0.065565
Z-Factor: -1.43911
Fitness Defect: 2.7247
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|H2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-11-16 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00082
Plate DMSO Control (-):0.644075±0.02219
Plate Z-Factor:0.8828
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DBLink | Rows returned: 1
4262362

internal high similarity DBLink | Rows returned: 1
SPE00240673 0.9040

active | Cluster 12397 | Additional Members: 2 | Rows returned: 1
SPE00240673 0.272727272727273

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