COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK615942
Chemical Name: (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)c1cccc(c1)C(F)(F)F)/S(=O)(=O)c1ccc(cc1)OC

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Molecular Weight: 451.47
Empirical Formula: C21H20F3N3O3S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.08
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 82
Number of rings: 3

     

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