COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK785047
Chemical Name: ethyl2-{[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanoyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=O)CCCn2nc(c(c2C)[N+](=O)[O-])C)sc2c1CCCCC2

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Molecular Weight: 448.54
Empirical Formula: C21H28N4O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.083
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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