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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 401 402 403 404 405 406 407 408 409 410  Next >> [503]
Species: 4932
Condition: SPE00310300
Replicates: 2
Raw OD Value: r im 0.6507±0.00296985
Normalized OD Score: sc h 1.0484±0.00083784
Z-Score: 1.2093±0.151922
p-Value: 0.229226
Z-Factor: -4.91862
Fitness Defect: 1.473
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.10 Celcius
Date:2006-11-22 YYYY-MM-DD
Plate CH Control (+):0.038575±0.00240
Plate DMSO Control (-):0.6324000000000001±0.03142
Plate Z-Factor:0.8184
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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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