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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 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8135±0.0013435
Normalized OD Score: sc h 1.0060±0.00119494
Z-Score: 0.3400±0.0730687
p-Value: 0.734178
Z-Factor: -4.12932
Fitness Defect: 0.309
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:14|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00083
Plate DMSO Control (-):0.79265±0.00960
Plate Z-Factor:0.9569
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DBLink | Rows returned: 121 2 Next >> 
2460 [8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
3029 [8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non-9-yl]
butanoate
9687 [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0
]non-9-yl] butanoate
167813 sodium
[(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
on-9-yl] butanoate
2724338 sodium
[(1R,6R,7R,8R)-8-[6-(butanoylamino)purin-9-yl]-4-oxido-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]n
on-7-yl] butanoate hydrate
5702210 [(1R,6R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$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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