COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004964
Chemical Name: (6E)-2-heptyl-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)CCOc3cccc(c3)OC)/C2=N)s1

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Molecular Weight: 543.69
Empirical Formula: C30H33N5O3S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.969
Rotatable bonds: 12
H-donors: 1
H-acceptors: 3
PSA: 117
Number of rings: 5

     

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