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Compound InformationSONAR Target prediction
Name:

Rifabutin

Unique Identifier:Prest1296
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C46H62N4O11
Molecular Weight:784.513 g/mol
X log p:8.207  (online calculus)
Lipinksi Failures2
TPSA120.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:5
Canonical Smiles:CCC(C)N1CCC2(CC1)Nc1c3NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C
)C(OC)C=COC4(C)Oc5c(C)c(O)c(c3=O)c(c1=N2)c5C4=O

Found: 2 nonactive | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 654.0000±0
Normalized OD Score: sc h 0.9249±0
Z-Score: -1.6938±0
p-Value: 0.0903034
Z-Factor: -142.692
Fitness Defect: 2.4046
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|G10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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DBLink | Rows returned: 1
6323490

internal high similarity DBLink | Rows returned: 0

active | Cluster 6557 | Additional Members: 7 | Rows returned: 2
SPE01500529 0
Prest833 0

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