COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435860
Chemical Name: methyl5-methyl-2-({[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
Smiles: COC(=O)c1cc(sc1NC(=S)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 420.51
Empirical Formula: C18H20N4O4S2

Physical State: Dry powder
Available Amount: 883 mg

Lipinsky:
logP: 4.562
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 150
Number of rings: 3

     

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