COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039392
Chemical Name: (2E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: COc1ccc(cc1/C=C/C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])Cl)Br

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Molecular Weight: 480.75
Empirical Formula: C20H19BrClN3O4

Physical State: Dry powder
Available Amount: 149 mg

Lipinsky:
logP: 5.791
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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