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Compound InformationSONAR Target prediction
Name:

VANCOMYCIN HYDROCHLORIDE

Unique Identifier:SPE01500607
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:1407.11 g/mol
X log p:23.843  (online calculus)
Lipinksi Failures3
TPSA191.94
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:32
Rotatable Bond Count:14
Canonical Smiles:Cl.CNC(CC(C)C)C(=O)NC1C(O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)C(O)C5CC(=O)C(NC
(=O)C4NC(=O)C(CC(N)=O)NC1=O)c1ccc(O)c(c1)c1c(O)cc(O)cc1C(NC5=O)C(O)=O)
c3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)c(Cl)c2
Class:macrolide
Source:Streptomyces orientalis
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: ARC18
Replicates: 2
Raw OD Value: r im 0.6889±0.00452548
Normalized OD Score: sc h 0.9819±0.00731515
Z-Score: -0.8231±0.345748
p-Value: 0.424256
Z-Factor: -3.99064
Fitness Defect: 0.8574
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2008-02-28 YYYY-MM-DD
Plate CH Control (+):0.041975±0.00122
Plate DMSO Control (-):0.67925±0.01189
Plate Z-Factor:0.9327
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DBLink | Rows returned: 3
3634100
5702130
5702131

internal high similarity DBLink | Rows returned: 1
LOPAC 01289 0.9564

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 451 2 3 4 5 6 7 8 Next >> 
LAT007D08 0
LAT026D06 0
LAT007C08 0
Prest1333 0
LAT007H08 0
SPE01505111 0

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