COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK678294
Chemical Name: (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3ccc4c(c3)OCO4)/C2=N)s1

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Molecular Weight: 398.49
Empirical Formula: C20H22N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 4.154
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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