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Compound InformationSONAR Target prediction
Name:

Lymecycline

Unique Identifier:Prest1244
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H38N4O10
Molecular Weight:566.347 g/mol
X log p:2.923  (online calculus)
Lipinksi Failures2
TPSA71.52
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:14
Rotatable Bond Count:11
Canonical Smiles:CN(C)C1C2CC3C(=C(O)C2(O)C(=O)C(C(=O)NCNC(CCCCN)C(O)=O)=C1O)C(=O)c1c(O)
cccc1C3(C)O

Found: 3 active as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 622.0000±0
Normalized OD Score: sc h 0.8071±0
Z-Score: -4.3486±0
p-Value: 0.0000137001
Z-Factor: -3.54614
Fitness Defect: 11.1981
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|D11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):727.5±605.08760
Plate DMSO Control (-):773±261.27974
Plate Z-Factor:-83.4256
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 12393 | Additional Members: 20 | Rows returned: 3
Prest1045 0.452631578947368
SPE01505684 0.452631578947368
Prest60 0

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