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Compound InformationSONAR Target prediction
Name:

N`1-(4-chlorobenzylidene)-2-({3-[4-(3-chlorophenyl)piperazino]propyl}t
hio)ethanohydrazide

Unique Identifier:KM 08645
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H26N4OSCl2
Molecular Weight:439.233 g/mol
X log p:21.183  (online calculus)
Lipinksi Failures1
TPSA61.21
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:10
Canonical Smiles:Clc1ccc(cc1)C=NNC(=O)CSCCCN1CCN(CC1)c1cccc(Cl)c1

Found: 3 active | as graph: single | with analogs << Back 1 2 3
Species: 4932
Condition: pdryCG196
Replicates: 2
Raw OD Value: r im 0.7735±0.00919239
Normalized OD Score: sc h 0.6511±0.240274
Z-Score: -11.2537±6.02152
p-Value: 0.00000000000131881
Z-Factor: -1.53125
Fitness Defect: 27.3543
Bioactivity Statement: Active
Experimental Conditions
Library:Cytotoxic
Plate Number and Position:6|B5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08775±0.00178
Plate DMSO Control (-):0.9199999999999999±0.04152
Plate Z-Factor:0.8058
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DBLink | Rows returned: 2
2822488 N-[(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide
5716035 N-[(4-chlorophenyl)methylideneamino]-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propylsulfanyl]acetamide

internal high similarity DBLink | Rows returned: 1
KM 08660 0.9833

active | Cluster 7154 | Additional Members: 18 | Rows returned: 0
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