COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL405565
Chemical Name: ethyl2-{[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)Br)[N+](=O)[O-])sc2c1CCC(C2)C(C)(C)C

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Molecular Weight: 527.44
Empirical Formula: C21H27BrN4O5S

Physical State: Dry powder
Available Amount: 43 mg

Lipinsky:
logP: 6.943
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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