COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539832
Chemical Name: 4-[(1E)-3-(1H-benzimidazol-2-yl)-3-oxoprop-1-en-1-yl]-2-methoxyphenylbeta-D-galactopyranoside
Smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2OC)/C=C/C(=O)c2nc3c([nH]2)cccc3)[C@@H]([C@H]([C@H]1O)O)O

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Molecular Weight: 456.45
Empirical Formula: C23H24N2O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.72
Rotatable bonds: 5
H-donors: 5
H-acceptors: 8
PSA: 154
Number of rings: 4

     

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