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Compound InformationSONAR Target prediction
Name:

RIFAMPIN

Unique Identifier:SPE01500529
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:764.48 g/mol
X log p:11.905  (online calculus)
Lipinksi Failures2
TPSA106.97
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:16
Rotatable Bond Count:5
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)c(C=NN1CCN(C)CC1)c(O)c4c3C2=O
Source:semisynthetic; L-5103, Ba-41166/E, NSC-113926
Therapeutics:antibacterial (tuberculostatic)
Generic_name:RIFAMPICIN
Chemical_iupac_name:RIFAMPICIN
Drug_type:Experimental
Kegg_compound_id:C06688
Drugbank_id:EXPT02777
Logp:3.719
Cas_registry_number:13292-46-1
Drug_category:Orphan Nuclear Receptor Pxr inhibitor
Organisms_affected:-1

Found: 204 nonactive | as graph: single | with analogs [1] << Back 201 202 203 204
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.5036±0.0111723
Normalized OD Score: sc h 1.0175±0.0220536
Z-Score: 0.5256±0.149915
p-Value: 0.60121
Z-Factor: -2.213
Fitness Defect: 0.5088
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.040725000000000004±0.00042
Plate DMSO Control (-):0.5124500000000001±0.01653
Plate Z-Factor:0.9053
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 6557 | Additional Members: 7 | Rows returned: 2
Prest1296 0.411764705882353
Prest833 0

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