COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040572
Chemical Name: (6Z)-3-(benzylsulfanyl)-6-{4-[2-(2,4-dimethylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Smiles: Cc1ccc(c(c1)C)OCCOc1ccc(cc1)/C=C/1\C(=O)N=c2n(C1=N)c(SCc1ccccc1)ns2

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Molecular Weight: 542.68
Empirical Formula: C29H26N4O3S2

Physical State: Dry powder
Available Amount: 590 mg

Lipinsky:
logP: 6.194
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 137
Number of rings: 5

     

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