COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK767024
Chemical Name: methyl3-amino-4-[(4-chlorobenzyl)sulfanyl]-6-nitro-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1N)c(SCc1ccc(cc1)Cl)cc(c2)[N+](=O)[O-]

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Molecular Weight: 408.89
Empirical Formula: C17H13ClN2O4S2

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 6.228
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 151
Number of rings: 3

     

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