COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041132
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]prop-2-enamide
Smiles: O=C(Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 437.84
Empirical Formula: C21H16ClN5O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.015
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 5

     

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