COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK329102
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1)NC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 456.48
Empirical Formula: C25H16N2O5S

Physical State: Dry powder
Available Amount: 355 mg

Lipinsky:
logP: 5.082
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 125
Number of rings: 5

     

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