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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 71 72 73 74 75 76 77 78 79 80  Next >> [104]
Species: 4932
Condition: RSC2
Replicates: 2
Raw OD Value: r im 0.3696±0.0228395
Normalized OD Score: sc h 0.9904±0.00298551
Z-Score: -0.2601±0.0619528
p-Value: 0.795012
Z-Factor: -17.094
Fitness Defect: 0.2294
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|A4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2007-12-12 YYYY-MM-DD
Plate CH Control (+):0.042725000000000006±0.00032
Plate DMSO Control (-):0.365125±0.01720
Plate Z-Factor:0.8538
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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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