COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL021007
Chemical Name: ethyl2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)[N+](=O)[O-])/C#N)sc2c1CCC(C2)C

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Molecular Weight: 505.55
Empirical Formula: C26H23N3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.444
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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