COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK051140
Chemical Name: (6E)-2-butyl-6-[3-chloro-5-ethoxy-4-(2-phenoxyethoxy)benzylidene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCc1sc2=NC(=O)/C(=C/c3cc(Cl)c(c(c3)OCC)OCCOc3ccccc3)/C(=N)n2n1

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Molecular Weight: 527.04
Empirical Formula: C26H27ClN4O4S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 5.26
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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