COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090465
Chemical Name: (6Z)-6-({1-[3-(3,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylidene)-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCCOc3ccc(c(c3)C)C)/C2=N)s1

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Molecular Weight: 485.61
Empirical Formula: C27H27N5O2S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 4.804
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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