COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055010
Chemical Name: 4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Smiles: [O-][N+](=O)c1ccccc1/C=C/C=N/n1c(S)nnc1c1n[nH]c(c1)c1ccccc1

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Molecular Weight: 417.45
Empirical Formula: C20H15N7O2S

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 5.168
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 156
Number of rings: 4

     

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