COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK815587
Chemical Name: (2E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)c1ccccc1)/c1nc2c(n1C)cccc2

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Molecular Weight: 476.49
Empirical Formula: C27H20N6O3

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 5.346
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 114
Number of rings: 5

     

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