COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL330026
Chemical Name: (2E)-3-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)/C(=O)N1CCOCC1

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Molecular Weight: 484.6
Empirical Formula: C29H32N4O3

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 5.118
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 80
Number of rings: 4

     

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