COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK701608
Chemical Name: (2E)-2-cyano-3-[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)[N+](=O)[O-])OC)c1ccccc1)/C#N

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Molecular Weight: 429.44
Empirical Formula: C23H19N5O4

Physical State: Dry powder
Available Amount: 365 mg

Lipinsky:
logP: 3.265
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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