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Compound InformationSONAR Target prediction
Name:

Ornidazole

Unique Identifier:Prest584
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C7ClH10N3O3
Molecular Weight:209.546 g/mol
X log p:2.729  (online calculus)
Lipinksi Failures0
TPSA58.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:[O-][N+](=O)c1cnc(C)n1CC(O)CCl

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1837.0000±0
Normalized OD Score: sc h 0.8883±0
Z-Score: -2.5171±0
p-Value: 0.0118319
Z-Factor: -39.0395
Fitness Defect: 4.437
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:3|A5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1037.5±978.23463
Plate DMSO Control (-):2014±552.18250
Plate Z-Factor:-4.9321
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DBLink | Rows returned: 3
28061 1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol
688540 (2R)-1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol
6541429 (2S)-1-chloro-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol

internal high similarity DBLink | Rows returned: 0

active | Cluster 6826 | Additional Members: 11 | Rows returned: 1
Prest334 0

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