COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK027794
Chemical Name: (6Z)-6-{3-[2-(4-hexylphenoxy)ethoxy]benzylidene}-5-imino-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCc1ccc(cc1)OCCOc1cccc(c1)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

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Molecular Weight: 566.72
Empirical Formula: C33H34N4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.825
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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