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Compound InformationSONAR Target prediction
Name:

Phorbol 12-myristate 13-acetate

Unique Identifier:LOPAC 01158
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C36H56O8
Molecular Weight:563.404 g/mol
X log p:1.237  (online calculus)
Lipinksi Failures1
TPSA69.67
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:17
Canonical Smiles:CCCCCCCCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C2C=C(C)C3=O)C2C(C)(C)C12
OC(C)=O
Class:Phosphorylation
Action:Activator
Selectivity:PKC

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8076±0.00275772
Normalized OD Score: sc h 0.9918±0.0133035
Z-Score: -0.6482±1.02891
p-Value: 0.55282
Z-Factor: -5.26551
Fitness Defect: 0.5927
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.039474999999999996±0.19527
Plate DMSO Control (-):0.784625±0.01861
Plate Z-Factor:0.9145
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DBLink | Rows returned: 40<< Back 1 2 3 4 5 6 7 Next >> 
148543
155884
155885
169936
182041
187391

internal high similarity DBLink | Rows returned: 1
SPE00330004 1.0000

active | Cluster 717 | Additional Members: 7 | Rows returned: 0
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