COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545995
Chemical Name: 3-[(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-7-yl]-3-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanoicacid
Smiles: OC(=O)CC(c1c(O)ccc2c1O/C(=C\c1ccc3c(c1)OCCO3)/C2=O)c1ccc2c(c1)n(C)c(=O)n2C

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Molecular Weight: 528.52
Empirical Formula: C29H24N2O8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 3.133
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 125
Number of rings: 6

     

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