COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK776402
Chemical Name: methyl6-tert-butyl-2-{[4-(4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)CCCn2ncc(c2)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 448.54
Empirical Formula: C21H28N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.787
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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