COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL234058
Chemical Name: (2Z)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(morpholin-4-ylcarbonyl)prop-2-enenitrile
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)N1CCOCC1)/C#N)c1ccccc1

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Molecular Weight: 472.61
Empirical Formula: C27H28N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.981
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 4

     

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