COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712789
Chemical Name: (6E)-5-imino-2-(pentan-3-yl)-6-(3,4,5-trimethoxybenzylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3cc(OC)c(c(c3)OC)OC)/C2=N)s1)CC

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Molecular Weight: 416.5
Empirical Formula: C20H24N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.375
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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