COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225018
Chemical Name: (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1ccc2c(c1)OCO2)CCC1CCCCC1

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.088
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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