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Compound InformationSONAR Target prediction
Name:

Dactinomycin

Unique Identifier:LAT002G11
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C64H88N10O16
Molecular Weight:1164.74 g/mol
X log p:0.0749999999999996  (online calculus)
Lipinksi Failures1
TPSA274.92
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:26
Rotatable Bond Count:10
Canonical Smiles:CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3Oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C
(C)C)N(C)C(=O)CN(C)C(=O)C6CCCC6C(=O)C(NC5=O)C(C)C)c4=Nc32)C(C)OC(=O)C(
C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCC2C1=O

Found: 4 nonactive | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.7210±0.0597505
Normalized OD Score: sc h 0.9153±0.0688141
Z-Score: -2.1794±1.52343
p-Value: 0.13575
Z-Factor: -2.49786
Fitness Defect: 1.9969
Bioactivity Statement: Nonactive
Experimental Conditions
Library:LATCA
Plate Number and Position:2|G11
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: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1492 | Additional Members: 3 | Rows returned: 1
SPE00330001 0

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