COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK097975
Chemical Name: (6E)-6-({1-[2-(4-chloro-3-methylphenoxy)ethyl]-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)CCOc3ccc(c(c3)C)Cl)/C2=N)s1

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Molecular Weight: 492
Empirical Formula: C25H22ClN5O2S

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 4.663
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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