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Compound InformationSONAR Target prediction
Name:

ANGOLENSIN (R)

Unique Identifier:SPE00100616
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:256.169 g/mol
X log p:15.185  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:COc1ccc(cc1)C(C)C(=O)c1ccc(O)cc1O
Class:aromatic
Source:Pericopsis and Pterocarpus spp
Reference:J Chem Soc 1959: 2679; 1963: 5573

Found: 193 nonactive | as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [193]
Species: 4932
Condition: SNF2
Replicates: 2
Raw OD Value: r im 0.6406±0.0282136
Normalized OD Score: sc h 0.9816±0.00804213
Z-Score: -0.4051±0.251894
p-Value: 0.690106
Z-Factor: -4.30578
Fitness Defect: 0.3709
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.00 Celcius
Date:2008-02-01 YYYY-MM-DD
Plate CH Control (+):0.039599999999999996±0.00095
Plate DMSO Control (-):0.6405000000000001±0.01743
Plate Z-Factor:0.9114
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DBLink | Rows returned: 3
821427 (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
821428 (2R)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
3584988 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 16963 | Additional Members: 14 | Rows returned: 5
LAT015C09 0.490566037735849
LAT016D06 0.444444444444444
LAT017D07 0.32
LAT017H02 0.24
SPE00212097 0

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