COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525676
Chemical Name: ethyl2-({(2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)/C(=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C#N

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Molecular Weight: 543.56
Empirical Formula: C28H21N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.625
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 4

     

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