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Compound InformationSONAR Target prediction
Name:

IMPERATORIN

Unique Identifier:SPE00102076
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:13.312  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(C)=CCOc1c2occc2cc2C=CC(=O)Oc12
Class:coumarin
Source:Angelica & other Umbelliferaceae.
Reference:Ber 66: 1137 (1933); Ghana J Sci 10: 82 (1970)
Therapeutics:anticonvulsant, antiinflammatory

Found: 66 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [66]
Species: 4932
Condition: REF2
Replicates: 2
Raw OD Value: r im 0.4337±0.0128693
Normalized OD Score: sc h 1.0705±0.0203055
Z-Score: 2.0145±0.562472
p-Value: 0.0608868
Z-Factor: -1.30655
Fitness Defect: 2.7987
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-27 YYYY-MM-DD
Plate CH Control (+):0.04202499999999999±0.00088
Plate DMSO Control (-):0.3584±0.01168
Plate Z-Factor:0.8960
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DBLink | Rows returned: 1
10212

internal high similarity DBLink | Rows returned: 1
SPE01500400 0.9412

active | Cluster 12807 | Additional Members: 6 | Rows returned: 3
SPE00300005 0.474576271186441
LAT001C03 0.305084745762712
SPE01500400 0

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