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Compound InformationSONAR Target prediction
Name:

HOMOPTEROCARPIN

Unique Identifier:SPE00100743
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:268.18 g/mol
X log p:14.193  (online calculus)
Lipinksi Failures1
TPSA36.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1ccc2C3Oc4cc(OC)ccc4C3COc2c1
Class:benzopyran
Source:mp 82-84 C; Pterocarpus santalinus
Reference:J Chem Soc 1940:787

Found: 579 nonactive | as graph: single | with analogs [1] << Back 531 532 533 534 535 536 537 538 539 540  Next >> [579]
Species: 4932
Condition: REF2
Replicates: 2
Raw OD Value: r im 0.3599±0.0325976
Normalized OD Score: sc h 0.9762±0.0167715
Z-Score: -0.6949±0.478663
p-Value: 0.51148
Z-Factor: -3.224
Fitness Defect: 0.6704
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:10|B6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2008-08-27 YYYY-MM-DD
Plate CH Control (+):0.041800000000000004±0.00098
Plate DMSO Control (-):0.343075±0.01020
Plate Z-Factor:0.9498
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DBLink | Rows returned: 101 2 Next >> 
73067
101795
184978
184979
336327
364159

internal high similarity DBLink | Rows returned: 0

active | Cluster 10591 | Additional Members: 3 | Rows returned: 2
SPE01401019 0.393939393939394
SPE00201654 0

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