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Compound InformationSONAR Target prediction
Name:

DIHYDRO-beta-TUBAIC ACID

Unique Identifier:SPE00211531
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H16O4
Molecular Weight:220.137 g/mol
X log p:3.884  (online calculus)
Lipinksi Failures0
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1c2CCC(C)(C)Oc2ccc1C(O)=O
Source:derivative ex mundulone

Found: 509 nonactive | as graph: single | with analogs [1] << Back 501 502 503 504 505 506 507 508 509 Next >> [509]
Species: 4932
Condition: TUB3
Replicates: 2
Raw OD Value: r im 0.6774±0.0142836
Normalized OD Score: sc h 0.9748±0.0139971
Z-Score: -1.4934±0.799683
p-Value: 0.196478
Z-Factor: -187.827
Fitness Defect: 1.6272
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.20 Celcius
Date:2007-10-12 YYYY-MM-DD
Plate CH Control (+):0.040025±0.00058
Plate DMSO Control (-):0.684125±0.07407
Plate Z-Factor:0.6292
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DBLink | Rows returned: 1
3548249 5-methoxy-2,2-dimethyl-chroman-6-carboxylic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 8617 | Additional Members: 1 | Rows returned: 0

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