COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056148
Chemical Name: [(4-bromophenyl)sulfonyl][3-(1-heptyl-1H-3,1-benzimidazol-3-ium-3-yl)quinoxalin-2-yl]azanide
Smiles: CCCCCCCn1c[n+](c2c1cccc2)c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(cc1)Br

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Molecular Weight: 578.53
Empirical Formula: C28H28BrN5O2S

Physical State: Dry powder
Available Amount: 275 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 77
Number of rings: 5

     

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