COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342617
Chemical Name: diethyl3-methyl-5-{[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetyl]amino}thiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1c(NC(=O)Cn2nc(c(c2C)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)OCC

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Molecular Weight: 469.43
Empirical Formula: C17H19N5O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.614
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 219
Number of rings: 2

     

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