COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053333
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)prop-2-enamide
Smiles: O=C(Nc1nn2c(=NC(=O)CC2c2ccccc2)[nH]1)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 403.4
Empirical Formula: C21H17N5O4

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 1.42
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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