COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007363
Chemical Name: (6Z)-6-{4-[2-(4-tert-butylphenoxy)ethoxy]-3-iodo-5-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1sc2=NC(=O)/C(=C\c3cc(I)c(c(c3)OC)OCCOc3ccc(cc3)C(C)(C)C)/C(=N)n2n1

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Molecular Weight: 632.52
Empirical Formula: C27H29IN4O4S

Physical State: Dry powder
Available Amount: 446 mg

Lipinsky:
logP: 5.493
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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