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Compound InformationSONAR Target prediction
Name:

BUTAMBEN

Unique Identifier:SPE01500767
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:178.123 g/mol
X log p:7.721  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:CCCCOC(=O)c1ccc(N)cc1
Source:synthetic
Therapeutics:anesthetic (local)

Found: 527 nonactive | as graph: single | with analogs [1] << Back 481 482 483 484 485 486 487 488 489 490  Next >> [527]
Species: 4932
Condition: IDH2
Replicates: 2
Raw OD Value: r im 0.5557±0.00784888
Normalized OD Score: sc h 0.9559±0.017117
Z-Score: -2.1995±0.803674
p-Value: 0.0542408
Z-Factor: -31.7602
Fitness Defect: 2.9143
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:18|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2007-10-19 YYYY-MM-DD
Plate CH Control (+):0.04035±0.00050
Plate DMSO Control (-):0.57645±0.10499
Plate Z-Factor:0.3794
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DBLink | Rows returned: 2
2482 butyl 4-aminobenzoate
210327 3-methylbutyl 4-aminobenzoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 13501 | Additional Members: 6 | Rows returned: 0
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