COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171849
Chemical Name: methyl4-(4-chlorophenyl)-5-methyl-2-{[(2E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)/C=C/c2ccc(o2)[N+](=O)[O-])sc(c1c1ccc(cc1)Cl)C

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Molecular Weight: 446.87
Empirical Formula: C20H15ClN2O6S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.823
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 142
Number of rings: 3

     

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