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Compound InformationSONAR Target prediction
Name:

Retinoic acid p-hydroxyanilide

Unique Identifier:LOPAC 00957
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H33NO2
Molecular Weight:358.284 g/mol
X log p:20.884  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(=O)Nc1ccc(O)cc1
Class:Cell Cycle
Action:Inhibitor
Generic_name:N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
Chemical_iupac_name:N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
Drug_type:Experimental
Drugbank_id:EXPT01420
Logp:5.99
Drug_category:Retinol Binding Protein Complexed With Fenre inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8294±0.00240416
Normalized OD Score: sc h 0.9879±0.00457034
Z-Score: -0.9043±0.257109
p-Value: 0.373696
Z-Factor: -4.20492
Fitness Defect: 0.9843
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.03925±0.19856
Plate DMSO Control (-):0.81925±0.01252
Plate Z-Factor:0.9559
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DBLink | Rows returned: 4
1744 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
5288209 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de
6440160 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de
6603872 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 820 | Additional Members: 15 | Rows returned: 102 Next >> 
SPE01503604 0.475
SPE01503051 0.353846153846154
SPE01500143 0.277777777777778
LAT006C08 0.277777777777778
SPE01501203 0.263157894736842
SPE01502013 0

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