COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK768034
Chemical Name: methyl6-nitro-4-(phenylsulfanyl)-3-(1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1n1cccc1)c(Sc1ccccc1)cc(c2)[N+](=O)[O-]

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Molecular Weight: 410.47
Empirical Formula: C20H14N2O4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.306
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 130
Number of rings: 4

     

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