COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225027
Chemical Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(4-chlorobenzyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: Clc1ccc(cc1)Cc1sc2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)/C(=N)n2n1

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Molecular Weight: 424.87
Empirical Formula: C20H13ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.337
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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