COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL349969
Chemical Name: (2E)-3-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-2-[(4-methoxyphenyl)sulfonyl]prop-2-enenitrile
Smiles: N#C/C(=C\Nc1ccc(c(c1)C(F)(F)F)Cl)/S(=O)(=O)c1ccc(cc1)OC

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Molecular Weight: 416.81
Empirical Formula: C17H12ClF3N2O3S

Physical State: Dry powder
Available Amount: 166 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 87
Number of rings: 2

     

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