COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL044432
Chemical Name: 2-{(E)-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}benzoate
Smiles: O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1ccccc1C(=O)[O-]

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Molecular Weight: 509.38
Empirical Formula: C20H21BrN4O5S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 3.992
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 131
Number of rings: 3

     

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