COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK211105
Chemical Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidin-4(3H)-one
Smiles: Cc1nnc(s1)SCc1cc(=O)[nH]c(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 458.57
Empirical Formula: C20H22N6O3S2

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 2.155
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 145
Number of rings: 5

     

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