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Compound InformationSONAR Target prediction
Name:

BUCLADESINE

Unique Identifier:SPE01503043
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:445.195 g/mol
X log p:2.342  (online calculus)
Lipinksi Failures1
TPSA138.26
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:13
Rotatable Bond Count:9
Canonical Smiles:CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1OC(=O)CCC
Source:synthetic
Therapeutics:vasodilator

Found: 205 nonactive as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [205]
Species: 4932
Condition: POP2
Replicates: 2
Raw OD Value: r im 0.6889±0.00579828
Normalized OD Score: sc h 1.0204±0.0120103
Z-Score: 0.9357±0.484977
p-Value: 0.377196
Z-Factor: -4.23547
Fitness Defect: 0.975
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:14|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.10 Celcius
Date:2007-10-24 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00049
Plate DMSO Control (-):0.6651750000000001±0.01301
Plate Z-Factor:0.9385
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DBLink | Rows returned: 12<< Back 1 2
6419873 sodium
[(1S,6R,8R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-
9-yl] butanoate hydrate
6602474 [(1S,6R,8R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no
n-9-yl] butanoate
6604528 sodium
[(1S,6S,8R,9S)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
on-9-yl] butanoate hydrate
6604529 [(1S,6S,8R,9S)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0
]non-9-yl] butanoate
6604694 [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
on-9-yl] butanoate
6610336 [(1S,6S,9S)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no
n-9-yl] butanoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 11040 | Additional Members: 3 | Rows returned: 0
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