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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 << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 16157.0000±0
Normalized OD Score: sc h 0.9028±0
Z-Score: -2.7027±0
p-Value: 0.00687738
Z-Factor: -3.91812
Fitness Defect: 4.9795
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 (+):18451.5±2414.05033
Plate DMSO Control (-):18390±2336.55654
Plate Z-Factor:-30.8248
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 12393 | Additional Members: 20 | Rows returned: 161 2 3 Next >> 
LOPAC 00607 0.554347826086957
LAT004C03 0.554347826086957
SPE01505684 0.452631578947368
SPE01500414 0.448275862068966
Prest235 0.353658536585366
LAT001B08 0.353658536585366

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