COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK952722
Chemical Name: ethyl2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5-dimethylthiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])Cl)/C#N)sc(c1C)C

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Molecular Weight: 499.93
Empirical Formula: C23H18ClN3O6S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 7.548
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 3

     

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