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Compound InformationSONAR Target prediction
Name:

Camptothecin

Unique Identifier:LAT002A02
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: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.6659±0.0357089
Normalized OD Score: sc h 0.8455±0.0388207
Z-Score: -4.2420±0.326004
p-Value: 0.0000340352
Z-Factor: -0.267274
Fitness Defect: 10.2881
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:2|A2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.040325±0.00180
Plate DMSO Control (-):0.8076749999999999±0.01978
Plate Z-Factor:0.9010
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DBLink | Rows returned: 71 2 Next >> 
2538
24360
32939
153546
184196
10497972

internal high similarity DBLink | Rows returned: 3
LOPAC 00814 1.0000
Prest102 1.0000
SPE01502232 1.0000

nonactive | Cluster 1530 | Additional Members: 9 | Rows returned: 6
SPE01505821 0.535714285714286
SPE01504123 0.178082191780822
LOPAC 00814 0
SPE01502232 0
Prest102 0
LAT003C09 0

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