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Compound InformationSONAR Target prediction
Name:

PENFLURIDOL

Unique Identifier:SPE01505691
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28ClF5H27NO
Molecular Weight:496.75 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
Source:synthetic; McN-JR-16341, R-16341
Therapeutics:antipsychotic

Found: 95 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [95]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.0412±0.000777817
Normalized OD Score: sc h 0.0571±0.00222591
Z-Score: -50.0847±1.21978
p-Value: 0
Z-Factor: 0.94442
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|D9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00082
Plate DMSO Control (-):0.7129749999999999±0.01080
Plate Z-Factor:0.9359
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 16161 | Additional Members: 10 | Rows returned: 4
SPE02300241 0.493506493506494
LOPAC 00317 0.279411764705882
LOPAC 00287 0
SPE01500325 0

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