COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455506
Chemical Name: 4-(4-acetylphenyl)-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide
Smiles: COc1cc(ccc1NC(=S)N1CCN(CC1)c1ccc(cc1)C(=O)C)[N+](=O)[O-]

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Molecular Weight: 414.49
Empirical Formula: C20H22N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.673
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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