COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016759
Chemical Name: (6Z)-6-({1-[2-(4-bromophenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCc1nn2c(=NC(=O)/C(=C\c3cccn3CCOc3ccc(cc3)Br)/C2=N)s1

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Molecular Weight: 486.39
Empirical Formula: C21H20BrN5O2S

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 3.75
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 4

     

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