COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL172536
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-iodophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1ccc(cc1)I

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Molecular Weight: 418.19
Empirical Formula: C17H11IN2O3

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 4.933
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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