COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK453163
Chemical Name: propan-2-yl5-methyl-4-[4-(2-methylpropyl)phenyl]-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate
Smiles: CC(OC(=O)c1c(NC(=O)Cc2ccc(cc2)[N+](=O)[O-])sc(c1c1ccc(cc1)CC(C)C)C)C

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Molecular Weight: 494.61
Empirical Formula: C27H30N2O5S

Physical State: Dry powder
Available Amount: 773 mg

Lipinsky:
logP: 7.559
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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