COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811260
Chemical Name: (2E)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-[(4-methylphenyl)sulfonyl]prop-2-enenitrile
Smiles: CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/S(=O)(=O)c1ccc(cc1)C)\C#N)c1ccccc1

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Molecular Weight: 525.67
Empirical Formula: C31H31N3O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.972
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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