COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK702975
Chemical Name: (2E)-3-{3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/C(=O)N1CCOCC1

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Molecular Weight: 470.57
Empirical Formula: C28H30N4O3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.658
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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