COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK524474
Chemical Name: ethyl4-(4-chlorophenyl)-2-({(2E)-2-cyano-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(scc1c1ccc(cc1)Cl)NC(=O)/C(=C/c1ccc(o1)c1cccc(c1)[N+](=O)[O-])/C#N

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Molecular Weight: 547.98
Empirical Formula: C27H18ClN3O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.294
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 166
Number of rings: 4

     

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