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Compound InformationSONAR Target prediction
Name:

THIAMINE

Unique Identifier:SPE01505464
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12Cl2H19N4OS
Molecular Weight:319.126 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[ClH-].Cl.Cc1nc(N)cc(C[n+]2csc(CCO)c2C)n1
Class:alkaloid
Source:rice husks, wheat germ, yeast
Therapeutics:vitamin B1, enzyme cofactor

Found: 104 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9100±0.0141421
Normalized OD Score: sc h 0.9694±0.00149229
Z-Score: -0.6355±0.0357673
p-Value: 0.52522
Z-Factor: -0.196309
Fitness Defect: 0.6439
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|C11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09±0.00250
Plate DMSO Control (-):0.9574999999999999±0.01026
Plate Z-Factor:0.9662
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 8035 | Additional Members: 3 | Rows returned: 0
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