COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046627
Chemical Name: 4-[(2E)-3-{3-[(1H-3,1-benzimidazol-3-ium-2-ylsulfanyl)methyl]-4-methoxyphenyl}prop-2-enoyl]phenolate
Smiles: COc1ccc(cc1CSc1[nH]c2c([nH+]1)cccc2)/C=C/C(=O)c1ccc(cc1)[O-]

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Molecular Weight: 416.5
Empirical Formula: C24H20N2O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.628
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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