COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062517
Chemical Name: (6E)-6-({1-[2-(4-cyclohexylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: O=C1N=c2sc(nn2C(=N)/C/1=C\c1cn(c2c1cccc2)CCOc1ccc(cc1)C1CCCCC1)C(F)(F)F

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Molecular Weight: 565.62
Empirical Formula: C29H26F3N5O2S

Physical State: Dry powder
Available Amount: 94 mg

Lipinsky:
logP: 7.028
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 108
Number of rings: 6

     

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