COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL376553
Chemical Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5Z)-5-{4-[(4-iodobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: C=CCc1cc(/C=C/2\SC(=O)N(C2=O)CC(=O)Nc2ccc3c(c2)OCCO3)cc(c1OCc1ccc(cc1)I)OC

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Molecular Weight: 698.54
Empirical Formula: C31H27IN2O7S

Physical State: Dry powder
Available Amount: 505 mg

Lipinsky:
logP: 7.123
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 128
Number of rings: 5

     

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