COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041747
Chemical Name: (2E)-N-[5-(4-chlorophenyl)-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1nc2n(n1)C(C=C(N2)c1ccc(cc1)Cl)c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 498.93
Empirical Formula: C26H19ClN6O3

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 6.676
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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