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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 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4143±0.0217082
Normalized OD Score: sc h 0.9354±0.00994576
Z-Score: -0.0959±0.0872407
p-Value: 0.923746
Z-Factor: -201.294
Fitness Defect: 0.0793
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.041175±0.00108
Plate DMSO Control (-):0.380075±0.02354
Plate Z-Factor:0.7378
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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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