COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011597
Chemical Name: (6Z)-6-({1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: CCCCCCCc1nn2c(=NC(=O)/C(=C\c3cn(c4c3cccc4)CCOc3ccc(cc3)C(C)(C)C)/C2=N)s1

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Molecular Weight: 569.77
Empirical Formula: C33H39N5O2S

Physical State: Dry powder
Available Amount: 424 mg

Lipinsky:
logP: 7.862
Rotatable bonds: 10
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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