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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
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.6717±0.00721249
Normalized OD Score: sc h 1.0705±0.0384883
Z-Score: 2.3366±1.17713
p-Value: 0.0670194
Z-Factor: -5.04488
Fitness Defect: 2.7028
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:4|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00104
Plate DMSO Control (-):0.6384000000000001±0.03634
Plate Z-Factor:0.9350
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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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