COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012923
Chemical Name: (6E)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxybenzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(ccc1OCCOc1ccc(c(c1)C)C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CC

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Molecular Weight: 478.57
Empirical Formula: C25H26N4O4S

Physical State: Dry powder
Available Amount: 383 mg

Lipinsky:
logP: 3.799
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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