COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK372886
Chemical Name: 5-(ethoxycarbonyl)-1,3-diethyl-2-[(E)-2-{[(4-methylphenyl)sulfonyl](phenyl)amino}ethenyl]-1H-3,1-benzimidazol-3-ium
Smiles: CCOC(=O)c1ccc2c(c1)[n+](CC)c(n2CC)/C=C/N(S(=O)(=O)c1ccc(cc1)C)c1ccccc1

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Saltdata: Cl-
Molecular Weight: 518.66
Empirical Formula: C29H32N3O4S

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 0
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 80
Number of rings: 4

     

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