COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK017588
Chemical Name: (6E)-6-({1-[2-(4-cyclohexylphenoxy)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(cc3)C3CCCCC3)/C2=N)s1

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Molecular Weight: 525.67
Empirical Formula: C30H31N5O2S

Physical State: Dry powder
Available Amount: 396 mg

Lipinsky:
logP: 6.036
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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