COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100193
Chemical Name: (6Z)-2-ethyl-5-imino-6-{4-[2-(4-nitrophenoxy)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)[N+](=O)[O-])/C2=N)s1

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Molecular Weight: 465.49
Empirical Formula: C22H19N5O5S

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 2.893
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 158
Number of rings: 4

     

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