COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK435200
Chemical Name: (4-bromo-5-ethylthiophen-2-yl)[4-(4-nitrophenyl)piperazin-1-yl]methanone
Smiles: CCc1sc(cc1Br)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 424.32
Empirical Formula: C17H18BrN3O3S

Physical State: Dry powder
Available Amount: 748 mg

Lipinsky:
logP: 4.321
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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