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Compound InformationSONAR Target prediction
Name:

METHACYCLINE HYDROCHLORIDE

Unique Identifier:SPE01501104
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:455.697 g/mol
X log p:5.229  (online calculus)
Lipinksi Failures1
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
Source:semisynthetic
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: GSY2
Replicates: 2
Raw OD Value: r im 0.6991±0.0116673
Normalized OD Score: sc h 1.0000±0.00869078
Z-Score: -0.0007±0.406416
p-Value: 0.773822
Z-Factor: -160.224
Fitness Defect: 0.2564
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|B3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.30 Celcius
Date:2008-04-30 YYYY-MM-DD
Plate CH Control (+):0.04±0.00033
Plate DMSO Control (-):0.6757249999999999±0.01116
Plate Z-Factor:0.9408
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 2
LOPAC 00868 0.9129
SPE01500266 0.9129

active | Cluster 2358 | Additional Members: 14 | Rows returned: 5
Prest588 0.465909090909091
SPE01501118 0.465909090909091
Prest1251 0.406976744186046
Prest1072 0
SPE01500266 0

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