COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712802
Chemical Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(3,4-dimethoxybenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OC)Cc1nn2c(=NC(=O)/C(=C/c3ccc4c(c3)OCO4)/C2=N)s1

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Molecular Weight: 450.47
Empirical Formula: C22H18N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.479
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 5

     

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