COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079700
Chemical Name: (6Z)-2-heptyl-6-(3-{2-[4-(hexyloxy)phenoxy]ethoxy}benzylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1sc2=NC(=O)/C(=C\c3cccc(c3)OCCOc3ccc(cc3)OCCCCCC)/C(=N)n2n1

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Molecular Weight: 590.79
Empirical Formula: C33H42N4O4S

Available Amount: 0 mg

Lipinsky:
logP: 8.306
Rotatable bonds: 16
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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