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Compound InformationSONAR Target prediction
Name:

CALCEIN

Unique Identifier:SPE01500763
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:596.327 g/mol
X log p:12.98  (online calculus)
Lipinksi Failures3
TPSA118.13
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:14
Canonical Smiles:OC(=O)CN(CC(O)=O)Cc1cc2c(Oc3cc(=O)c(CN(CC(O)=O)CC(O)=O)cc3=C2c2ccccc2C
(O)=O)cc1O
Source:synthetic
Therapeutics:chelating agent (Ca, Mg)

Found: 183 nonactive | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [183]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.5408±0.00537401
Normalized OD Score: sc h 0.9336±0.0255249
Z-Score: -2.9694±1.07652
p-Value: 0.0137118
Z-Factor: -1.27779
Fitness Defect: 4.2895
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.90 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.040775000000000006±0.00132
Plate DMSO Control (-):0.5687±0.01291
Plate Z-Factor:0.9184
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 15409 | Additional Members: 1 | Rows returned: 0

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