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Compound InformationSONAR Target prediction
Name:

THIOSTREPTON

Unique Identifier:SPE01505111
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C72H85N19O18S5
Molecular Weight:1579.22 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:CCC(C)C1NC2C=Cc3c(cc(nc3C2O)C(=O)OC(C)C2NC(=O)c3csc(n3)C(NC(=O)C3CSC(=
N3)C(NC(=O)C(NC(=O)c3csc(n3)C3(CCC(=NC3c3csc2n3)c2scc(n2)C(=O)NC(=C)C(
=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)=CC)C(C)(O)
C(C)O)C(C)O
Class:macrolide
Source:Streptomyces aureus
Reference:Nature 225:233 (1970); J Antibiot 36:799, 814, 831(1983); 42:1649 (1989)
Therapeutics:antibacterial

Found: 104 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7342±0.00890955
Normalized OD Score: sc h 0.9993±0.00788938
Z-Score: -0.0315±0.418013
p-Value: 0.767664
Z-Factor: -51.9259
Fitness Defect: 0.2644
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00073
Plate DMSO Control (-):0.7159±0.01647
Plate Z-Factor:0.9139
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1 | Additional Members: 50 | Rows returned: 142 3 Next >> 
LOPAC 00756 0
SPE01503428 0
SPE01503692 0
LAT007G07 0
Prest1291 0
LAT007H07 0

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