COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK060433
Chemical Name: (6Z)-2-heptyl-5-imino-6-{3-iodo-5-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OCCOc3ccc(cc3)C)/C(=N)n2n1

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Molecular Weight: 660.58
Empirical Formula: C29H33IN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.921
Rotatable bonds: 12
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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