COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806847
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl]prop-2-en-1-one
Smiles: C=CCSc1nc2c(n1C(=O)/C=C/c1ccc3c(c1)OCO3)cccc2

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Molecular Weight: 364.42
Empirical Formula: C20H16N2O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 6.024
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 78
Number of rings: 4

     

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