COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK956446
Chemical Name: methyl4-(cyclohexylsulfanyl)-6-nitro-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1)c(SC1CCCCC1)cc(c2)[N+](=O)[O-]

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Molecular Weight: 351.45
Empirical Formula: C16H17NO4S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.758
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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