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Compound InformationSONAR Target prediction
Name:

Methacycline hydrochloride

Unique Identifier:Prest1251
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH23N2O8
Molecular Weight:457.713 g/mol
X log p:4.794  (online calculus)
Lipinksi Failures0
TPSA54.45
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:2
Canonical Smiles:Cl.CN(C)C1C2C(O)C3C(=C)c4cccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O

Found: 2 nonactive | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 733.0000±0
Normalized OD Score: sc h 0.8417±0
Z-Score: -3.5675±0
p-Value: 0.00036039
Z-Factor: -4.38236
Fitness Defect: 7.9283
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|A5
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 2358 | Additional Members: 14 | Rows returned: 4
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1072 0
SPE01500266 0

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