COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540728
Chemical Name: (2E)-3-{3-[(1H-benzimidazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)C(=O)/C=C/c1ccc(c(c1)CSc1nc2c([nH]1)cccc2)OC

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Molecular Weight: 430.53
Empirical Formula: C25H22N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.16
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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