COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952494
Chemical Name: ethyl2-{[(2E)-2-cyano-3-(3-nitrophenyl)prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2cccc(c2)[N+](=O)[O-])/C#N)sc(c1C)C

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Molecular Weight: 399.43
Empirical Formula: C19H17N3O5S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 6.147
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 153
Number of rings: 2

     

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