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Compound InformationSONAR Target prediction
Name:

Camptothecine (S,+)

Unique Identifier:Prest102
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C20H16N2O4
Molecular Weight:332.225 g/mol
X log p:11.182  (online calculus)
Lipinksi Failures1
TPSA58.97
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:1
Canonical Smiles:CCC1(O)C(=O)OCC2C(=O)N3Cc4cc5ccccc5nc4C3=CC=21

Found: 2 nonactive | as graph: single | with analogs << Back 1 2
Species: 9606
Condition: TMPPre002
Replicates: 2
Raw OD Value: r im 8195.5000±0
Normalized OD Score: sc h 0.8598±0
Z-Score: -3.1608±0
p-Value: 0.0015734
Z-Factor: -15.7521
Fitness Defect: 6.4545
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:3|D11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1037.5±978.23463
Plate DMSO Control (-):2014±552.18250
Plate Z-Factor:-4.9321
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DBLink | Rows returned: 5
2538
24360
32939
153546
184196

internal high similarity DBLink | Rows returned: 0

active | Cluster 1530 | Additional Members: 9 | Rows returned: 5
SPE01504123 0.178082191780822
LAT002A02 0
LOPAC 00814 0
SPE01502232 0
LAT003C09 0

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