COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100836
Chemical Name: 3-{(2E)-6-(ethoxycarbonyl)-3-ethyl-2-[(2E)-2-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)ethylidene]-2,3-dihydro-1H-benzimidazol-1-yl}propane-1-sulfonicacid
Smiles: CCOC(=O)c1ccc2c(c1)n(CCCS(=O)(=O)O)/c(=C/C=C\1/SC(=S)N(C1=O)CC)/n2CC

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Saltdata: (C2H5)3N
Molecular Weight: 525.67
Empirical Formula: C22H27N3O6S3

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 0.085
Rotatable bonds: 11
H-donors: 1
H-acceptors: 6
PSA: 173
Number of rings: 3

     

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