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Compound InformationSONAR Target prediction
Name:

Furaltadone hydrochloride

Unique Identifier:Prest226
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13ClH17N4O6
Molecular Weight:343.615 g/mol
X log p:7.194  (online calculus)
Lipinksi Failures1
TPSA106.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:5
Canonical Smiles:Cl.[O-][N+](=O)c1oc(cc1)C=NN1CC(CN2CCOCC2)OC1=O

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 12383.0000±0
Normalized OD Score: sc h 0.9029±0
Z-Score: -2.7018±0
p-Value: 0.00689614
Z-Factor: -3.85612
Fitness Defect: 4.9768
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:10|E5
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.30 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22161±7450.25778
Plate DMSO Control (-):13194±7524.46004
Plate Z-Factor:-6.8985
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DBLink | Rows returned: 11<< Back 1 2
6321392 (5S)-5-(morpholin-4-ylmethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxazolidin-2-one
6436924 5-(morpholin-4-ylmethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxazolidin-2-one hydrochloride
6604316 (5R)-5-(morpholin-4-ylmethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxazolidin-2-one
6918896 (5S)-3-[(5-nitro-2-furyl)methylideneamino]-5-(1-oxa-4-azoniacyclohex-4-ylmethyl)oxazolidin-2-one
6921759 (5R)-3-[(5-nitro-2-furyl)methylideneamino]-5-(1-oxa-4-azoniacyclohex-4-ylmethyl)oxazolidin-2-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 14486 | Additional Members: 6 | Rows returned: 2
SPE01500433 0
Prest358 0

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