COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564335
Chemical Name: 4-{(E)-[2-({4-[(4-bromophenyl)sulfonyl]piperazin-1-ium-1-yl}acetyl)hydrazinylidene]methyl}-2,6-di-tert-butylphenolate
Smiles: O=C(C[NH+]1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br)N/N=C/c1cc(c(c(c1)C(C)(C)C)[O-])C(C)(C)C

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Molecular Weight: 593.59
Empirical Formula: C27H37BrN4O4S

Physical State: Dry powder
Available Amount: 181 mg

Lipinsky:
logP: 7.995
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 114
Number of rings: 3

     

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