COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706442
Chemical Name: 2-[(1-{3-[(5E)-5-benzylidene-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}-1H-benzimidazol-2-yl)sulfanyl]-N-(3-bromophenyl)acetamide
Smiles: O=C(Nc1cccc(c1)Br)CSc1nc2c(n1C(=O)CCN1C(=S)S/C(=C/c3ccccc3)/C1=O)cccc2

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Molecular Weight: 637.6
Empirical Formula: C28H21BrN4O3S3

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 6.55
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 166
Number of rings: 5

     

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