COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK433349
Chemical Name: methyl4-(4-methylphenyl)-2-{[(2E)-3-(3-nitrophenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: COC(=O)c1c(scc1c1ccc(cc1)C)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 422.46
Empirical Formula: C22H18N2O5S

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 6.961
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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