COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823126
Chemical Name: (2E)-2-cyano-N-cyclohexyl-3-{1-phenyl-3-[4-(prop-2-en-1-yloxy)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Smiles: C=CCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NC1CCCCC1)\C#N)c1ccccc1

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Molecular Weight: 452.56
Empirical Formula: C28H28N4O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.837
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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