COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829090
Chemical Name: (2E)-2-[(3,4-dimethylphenyl)sulfonyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)c1ccc(cc1)F)/S(=O)(=O)c1ccc(c(c1)C)C

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Molecular Weight: 399.49
Empirical Formula: C21H22FN3O2S

Physical State: Dry powder
Available Amount: 466 mg

Lipinsky:
logP: 3.247
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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