COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052472
Chemical Name: (2E)-N-[7-(4-chlorophenyl)-5-oxo-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1[nH]c2=NC(=O)CC(n2n1)c1ccc(cc1)Cl)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 438.83
Empirical Formula: C20H15ClN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.794
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 131
Number of rings: 4

     

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