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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 491 492 493 494 495 496 497 498 499 500  Next >> [509]
Species: 4932
Condition: SPO22
Replicates: 2
Raw OD Value: r im 0.3735±0.0312541
Normalized OD Score: sc h 1.1237±0.00441628
Z-Score: 1.5170±0.0330802
p-Value: 0.129383
Z-Factor: -1.44685
Fitness Defect: 2.045
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2006-05-12 YYYY-MM-DD
Plate CH Control (+):0.0384±0.00116
Plate DMSO Control (-):0.32935000000000003±0.02938
Plate Z-Factor:0.6490
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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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