COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK255841
Chemical Name: 1-[4-(4-{[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]amino}phenyl)piperazin-1-yl]butan-1-one
Smiles: CCCC(=O)N1CCN(CC1)c1ccc(cc1)/N=C/c1cc(cc(c1O)Br)[N+](=O)[O-]

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Molecular Weight: 475.34
Empirical Formula: C21H23BrN4O4

Physical State: Dry powder
Available Amount: 460 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 101
Number of rings: 3

     

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