COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456203
Chemical Name: methyl5-(diethylcarbamoyl)-4-methyl-2-{[(5-nitropyridin-2-yl)carbamothioyl]amino}thiophene-3-carboxylate
Smiles: CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=S)Nc1ccc(cn1)[N+](=O)[O-])CC

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Molecular Weight: 451.53
Empirical Formula: C18H21N5O5S2

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 3.97
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 189
Number of rings: 2

     

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