COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702974
Chemical Name: (2E)-2-cyano-N-methyl-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/C(=O)NC

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Molecular Weight: 414.51
Empirical Formula: C25H26N4O2

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 4.913
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 3

     

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