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Compound InformationSONAR Target prediction
Name:

RIFAXIMIN

Unique Identifier:SPE01505321
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C43H51N3O11
Molecular Weight:734.474 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(O
C(C)=O)C1C)c1n5C=CC(C)=Cc5nc1c4c3C2=O
Source:semisynthetic
Reference:Drugs 49:467 (1995)
Therapeutics:antibacterial, RNA synthesis inhibitor

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: NPR1
Replicates: 2
Raw OD Value: r im 0.9780±0.0321026
Normalized OD Score: sc h 0.9879±0.00408151
Z-Score: 0.9909±0.309267
p-Value: 0.333216
Z-Factor: -13.6419
Fitness Defect: 1.099
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:9|G5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.0032250000000000004±0.00117
Plate DMSO Control (-):1.0048±0.03198
Plate Z-Factor:0.9181
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 6557 | Additional Members: 7 | Rows returned: 3
Prest1296 0.411764705882353
SPE01500529 0
Prest833 0

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