COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701434
Chemical Name: (2E)-3-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyano-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)Br)OC)c1ccccc1)/C#N

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Molecular Weight: 463.33
Empirical Formula: C23H19BrN4O2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.346
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 3

     

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