COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051640
Chemical Name: (6E)-6-{5-bromo-2-[2-(4-cyclohexylphenoxy)ethoxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C/c3cc(Br)ccc3OCCOc3ccc(cc3)C3CCCCC3)/C2=N)s1

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Molecular Weight: 581.53
Empirical Formula: C28H29BrN4O3S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 6.67
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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