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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] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [95]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.0752±0.0079196
Normalized OD Score: sc h 0.1050±0.0101748
Z-Score: -43.3822±0.321186
p-Value: 0
Z-Factor: 0.923199
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:21.30 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.0419±0.00216
Plate DMSO Control (-):0.69625±0.00886
Plate Z-Factor:0.9508
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16161 | Additional Members: 10 | Rows returned: 81 2 Next >> 
Prest302 0.493506493506494
SPE02300241 0.493506493506494
LOPAC 00444 0.493506493506494
LOPAC 00317 0.279411764705882
Prest781 0.174603174603175
Prest250 0

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