COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022493
Chemical Name: (2E)-2-cyano-N-(4-methoxyphenyl)-3-[5-(4-nitrophenyl)thiophen-2-yl]prop-2-enamide
Smiles: COc1ccc(cc1)NC(=O)/C(=C/c1ccc(s1)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 405.43
Empirical Formula: C21H15N3O4S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 4.65
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 136
Number of rings: 3

     

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