COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK044167
Chemical Name: (6Z)-2-butyl-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]benzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccc(c(c3)C)Cl)/C2=N)s1

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Molecular Weight: 497.02
Empirical Formula: C25H25ClN4O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.206
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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