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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 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: GSY2
Replicates: 2
Raw OD Value: r im 0.6824±0.00622254
Normalized OD Score: sc h 0.9909±0.00150698
Z-Score: -0.4266±0.0650739
p-Value: 0.670016
Z-Factor: -4.63132
Fitness Defect: 0.4005
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:2008-04-30 YYYY-MM-DD
Plate CH Control (+):0.04015±0.00063
Plate DMSO Control (-):0.674875±0.00882
Plate Z-Factor:0.9444
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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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