COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022491
Chemical Name: butyl(2E)-2-cyano-3-[5-(4-nitrophenyl)thiophen-2-yl]prop-2-enoate
Smiles: CCCCOC(=O)/C(=C/c1ccc(s1)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 356.4
Empirical Formula: C18H16N2O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.738
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 124
Number of rings: 2

     

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