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Compound InformationSONAR Target prediction
Name:

TRIAMCINOLONE ACETONIDE

Unique Identifier:SPE01500587
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:403.252 g/mol
X log p:3.815  (online calculus)
Lipinksi Failures0
TPSA52.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:2
Canonical Smiles:CC1(C)OC2CC3C4CCC5=CC(=O)C=CC5(C)C4(F)C(O)CC3(C)C2(O1)C(=O)CO
Source:semisynthetic
Therapeutics:antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.5905±0.0111016
Normalized OD Score: sc h 0.9845±0.00282884
Z-Score: 0.4360±0.161676
p-Value: 0.664872
Z-Factor: -8.20597
Fitness Defect: 0.4082
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|E6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.60 Celcius
Date:2008-04-02 YYYY-MM-DD
Plate CH Control (+):0.045275±0.00389
Plate DMSO Control (-):0.5960000000000001±0.01456
Plate Z-Factor:0.8886
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DBLink | Rows returned: 91 2 Next >> 
6436
451145
633097
3037685
5702126
6557546

internal high similarity DBLink | Rows returned: 3
SPE01501187 0.9076
SPE01503816 0.9194
SPE01500302 0.9500

nonactive | Cluster 2095 | Additional Members: 14 | Rows returned: 131 2 3 Next >> 
Prest227 0.553191489361702
SPE01500304 0.553191489361702
Prest1065 0.494736842105263
SPE01501175 0.494736842105263
LAT002B11 0.494736842105263
Prest1226 0.440860215053763

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