COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056566
Chemical Name: 2-{(E)-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}-5-(diethylamino)phenolate
Smiles: CCN(c1ccc(c(c1)[O-])/C=N/NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)CC

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Molecular Weight: 552.49
Empirical Formula: C23H30BrN5O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.145
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 117
Number of rings: 3

     

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