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Compound InformationSONAR Target prediction
Name:

BACCATIN III

Unique Identifier:SPE01505034
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C31H38O11
Molecular Weight:548.325 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(O)C(
C)=C1C2(C)C
Class:diterpene
Source:Taxus baccata
Reference:J Org Chem 51:3239 (1986)

Found: 104 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [104]
Species: 4932
Condition: SNF2
Replicates: 2
Raw OD Value: r im 0.6652±0.02786
Normalized OD Score: sc h 1.0184±0.0087188
Z-Score: 0.7304±0.25172
p-Value: 0.472188
Z-Factor: -5.38517
Fitness Defect: 0.7504
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2008-02-01 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00095
Plate DMSO Control (-):0.6405000000000001±0.01743
Plate Z-Factor:0.9114
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10247 | Additional Members: 8 | Rows returned: 1
SPE01503908 0

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