COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK037457
Chemical Name: (6E)-6-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3,5-dimethoxybenzylidene}-5-imino-2-(propan-2-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=N)nc(s3)C(C)C)cc(c1OCCOc1ccc(c(c1)C)C)OC

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Molecular Weight: 522.63
Empirical Formula: C27H30N4O5S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 3.908
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 131
Number of rings: 4

     

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