COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK430742
Chemical Name: methyl6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC(C2)C

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Molecular Weight: 374.42
Empirical Formula: C18H18N2O5S

Physical State: Dry powder
Available Amount: 6324 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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