COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807177
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-1-[2-(methylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)n2c(SC)nc3c2cccc3)ccc1OC

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Molecular Weight: 354.43
Empirical Formula: C19H18N2O3S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.902
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 3

     

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