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Compound InformationSONAR Target prediction
Name:

Rolitetracycline

Unique Identifier:Prest1045
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H33N3O8
Molecular Weight:495.312 g/mol
X log p:4.796  (online calculus)
Lipinksi Failures1
TPSA57.69
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:5
Canonical Smiles:CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)NCN1CCCC1)C(=O)c1c(O)cccc1C3(
C)O

Found: 3 active as graph: single | with analogs << Back 1 2 3 Next >> 
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 4379.0000±0
Normalized OD Score: sc h 0.6970±0
Z-Score: -6.8300±0
p-Value: 0.00000000000848992
Z-Factor: -2.01694
Fitness Defect: 25.4921
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:11|E10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):853.5±701.09504
Plate DMSO Control (-):849±311.18603
Plate Z-Factor:-72.3031
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 12393 | Additional Members: 20 | Rows returned: 171 2 3 Next >> 
LOPAC 00607 0.554347826086957
LAT004C03 0.554347826086957
SPE01505684 0.452631578947368
SPE01500414 0.448275862068966
Prest626 0.448275862068966
Prest235 0.353658536585366

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