COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK200293
Chemical Name: methyl2-{[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylidene]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(/N=C/c2cc(Br)cc(c2O)[N+](=O)[O-])sc2c1CCC(C2)C

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Molecular Weight: 453.31
Empirical Formula: C18H17BrN2O5S

Physical State: Dry powder
Available Amount: 171 mg

Lipinsky:
logP: 7.115
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 132
Number of rings: 3

     

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