COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225023
Chemical Name: (6E)-2-(1,3-benzodioxol-5-yl)-5-imino-6-[4-(propan-2-yl)benzylidene]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc(cc1)C(C)C)c1ccc2c(c1)OCO2

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Molecular Weight: 418.48
Empirical Formula: C22H18N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.797
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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