COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380747
Chemical Name: N-(1,3-benzodioxol-5-yl)-2-[(5E)-5-(4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Smiles: COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C\1/SC(=O)N(C1=O)CC(=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 765.59
Empirical Formula: C34H26Cl2N6O9S

Physical State: Dry powder
Available Amount: 577 mg

Lipinsky:
logP: 6.679
Rotatable bonds: 8
H-donors: 1
H-acceptors: 9
PSA: 187
Number of rings: 7

     

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