COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046684
Chemical Name: 4-{(1Z)-1-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]ethyl}phenolate
Smiles: [O-]c1ccc(cc1)/C(=N\NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)/C

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Molecular Weight: 495.4
Empirical Formula: C20H23BrN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.751
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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