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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 201 202 203 204 205
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.7061±0.00692965
Normalized OD Score: sc h 1.0135±0.0024744
Z-Score: 0.4556±0.105511
p-Value: 0.649582
Z-Factor: -22.9243
Fitness Defect: 0.4314
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:21|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.90 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.040999999999999995±0.00084
Plate DMSO Control (-):0.6753±0.02321
Plate Z-Factor:0.8968
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DBLink | Rows returned: 3
3634100
5702130
5702131

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

active | Cluster 1 | Additional Members: 50 | Rows returned: 141 2 3 Next >> 
LOPAC 00756 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0
LAT007E08 0

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