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Compound InformationSONAR Target prediction
Name:

Anthothecol

Unique Identifier:LAT001A02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28H32O7
Molecular Weight:448.295 g/mol
X log p:9.29  (online calculus)
Lipinksi Failures1
TPSA82.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1CC2(C)C(CC3OC32C2(C)C1C1(C)C=CC(=O)C(C)(C)C1=C(O)C2=O)c1cocc1

Found: 1 nonactive | as graph: single | with analogs
Species: 4932
Condition: wt24h
Replicates: 2
Raw OD Value: r im 0.7672±0.0103238
Normalized OD Score: sc h 0.9446±0.011724
Z-Score: -2.3704±1.24606
p-Value: 0.068778
Z-Factor: -0.451088
Fitness Defect: 2.6769
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:1|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00150
Plate DMSO Control (-):0.79905±0.01174
Plate Z-Factor:0.9475
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DBLink | Rows returned: 2
99980
6708503

internal high similarity DBLink | Rows returned: 1
SPE00100005 1.0000

active | Cluster 9059 | Additional Members: 3 | Rows returned: 2
SPE00100009 0.390804597701149
SPE00100005 0

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