COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK084582
Chemical Name: (6Z)-2-ethyl-5-imino-6-{4-[2-(4-methylphenoxy)ethoxy]benzylidene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3ccc(cc3)OCCOc3ccc(cc3)C)/C2=N)s1

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Saltdata: HCl
Molecular Weight: 434.52
Empirical Formula: C23H22N4O3S

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 3.457
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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