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Compound InformationSONAR Target prediction
Name:

2-(4-isopropylphenyl)-4H-chromen-4-one

Unique Identifier:BTB 13702
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H16O2
Molecular Weight:248.191 g/mol
X log p:19.2  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:2
Canonical Smiles:CC(C)c1ccc(cc1)C1Oc2ccccc2C(=O)C=1

Found: 63 nonactive | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [63]
Species: 4932
Condition: TSCII
Replicates: 2
Raw OD Value: r im 0.9395±0.0233345
Normalized OD Score: sc h 0.9290±0.00558378
Z-Score: -1.9438±0.190243
p-Value: 0.0540484
Z-Factor: 0.160854
Fitness Defect: 2.9179
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Bioactive
Plate Number and Position:2|B2
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-05-28 YYYY-MM-DD
Plate CH Control (+):0.10300000000000001±0.00192
Plate DMSO Control (-):0.98125±0.01438
Plate Z-Factor:0.9583
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DBLink | Rows returned: 2
776409 2-(4-tert-butylphenyl)chromen-4-one
2802462 2-(4-propan-2-ylphenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 71 2 Next >> 
SPE01500709 0.9065
JFD 00157 0.9124
SPE00240958 0.9197
BTB 10082 0.9254
BTB 14489 0.9394
RJC 01511 0.9538

active | Cluster 12019 | Additional Members: 25 | Rows returned: 71 2 Next >> 
SPE01504132 0.480769230769231
SPE01505139 0.42
LOPAC 01174 0.403846153846154
LAT006E05 0.403846153846154
SPE01500735 0.326530612244898
SPE01500741 0.295454545454545

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