COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK448607
Chemical Name: methyl4-(3,4-dimethoxyphenyl)-2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate
Smiles: COC(=O)c1c(scc1c1ccc(c(c1)OC)OC)NC(=O)c1ccc(c(c1)C)[N+](=O)[O-]

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Molecular Weight: 456.48
Empirical Formula: C22H20N2O7S

Physical State: Dry powder
Available Amount: 3000 mg

Lipinsky:
logP: 5.496
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 147
Number of rings: 3

     

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