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Compound InformationSONAR Target prediction
Name:

FLUOCINONIDE

Unique Identifier:SPE01500303
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:462.271 g/mol
X log p:4.713  (online calculus)
Lipinksi Failures0
TPSA78.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C
Source:semisynthetic
Therapeutics:antiinflammatory, glucocorticoid
Generic_name:Fluocinonide
Drug_type:Approved Drug
Pharmgkb_id:PA449664
Kegg_compound_id:D00325
Drugbank_id:APRD00978
Melting_point:309 oC
H2o_solubility:4.74 mg/L
Logp:2.734
Cas_registry_number:12/07/356
Drug_category:Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; ATC:C05AA11;
ATC:D07AC08
Indication:A topical anti-inflammatory product for the relief of the inflammatory and pruritic
manifestations of corticosteroid-responsive dermatoses.
Organisms_affected:Humans and other mammals

Found: 205 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: NAT1
Replicates: 2
Raw OD Value: r im 0.7254±0.00827315
Normalized OD Score: sc h 1.0189±0.00191465
Z-Score: 1.1265±0.0792591
p-Value: 0.260704
Z-Factor: -1.7585
Fitness Defect: 1.3444
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:18|C6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00066
Plate DMSO Control (-):0.697925±0.01352
Plate Z-Factor:0.9383
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DBLink | Rows returned: 102 Next >> 
3382
9642
3083300
5702057
6604242
6710662

internal high similarity DBLink | Rows returned: 2
SPE01500302 0.9375
SPE01503816 0.9385

active | Cluster 2095 | Additional Members: 14 | Rows returned: 0

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