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Compound InformationSONAR Target prediction
Name:

WARFARIN

Unique Identifier:SPE01500613
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:292.201 g/mol
X log p:18.682  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(=O)CC(c1ccccc1)C1C(=O)Oc2ccccc2C=1O
Source:synthetic
Therapeutics:anticoagulant, rodenticide
Generic_name:4-HYDROXY-3-[(1S)-3-OXO-1-PHENYLBUTYL]-2
Chemical_iupac_name:S-WARFARIN
Drug_type:Experimental
Drugbank_id:EXPT02984
Logp:2.32
Drug_category:Cytochrome P450 2C9 inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.9540±0
Normalized OD Score: sc h 0.9605±0
Z-Score: -2.1561±0
p-Value: 0.0310746
Z-Factor: -0.187257
Fitness Defect: 3.4714
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|E10
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.0985±0.00995
Plate DMSO Control (-):0.976±0.01594
Plate Z-Factor:0.9115
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 14483 | Additional Members: 9 | Rows returned: 0

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