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Compound InformationSONAR Target prediction
Name:

Minocycline hydrochloride

Unique Identifier:Prest626
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23ClH28N3O7
Molecular Weight:465.715 g/mol
X log p:4.411  (online calculus)
Lipinksi Failures0
TPSA57.69
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:10
Rotatable Bond Count:3
Canonical Smiles:Cl.CN(C)C1C2CC3Cc4c(ccc(O)c4C(=O)C3=C(O)C2(O)C(=O)C(C(N)=O)=C1O)N(C)C

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1818.0000±0
Normalized OD Score: sc h 0.9230±0
Z-Score: -1.7345±0
p-Value: 0.0828352
Z-Factor: -22.0461
Fitness Defect: 2.4909
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:4|H6
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.70 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1024±959.34887
Plate DMSO Control (-):2047±547.49039
Plate Z-Factor:-4.6829
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 12393 | Additional Members: 20 | Rows returned: 16<< Back 1 2 3 Next >> 
SPE01500226 0.353658536585366
LAT003H09 0.353658536585366
LOPAC 00845 0.353658536585366
LAT002E04 0.294871794871795
Prest434 0.294871794871795
SPE01500566 0.294871794871795

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