COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531578
Chemical Name: 2-[(2-ethoxy-4-{(E)-[5-imino-7-oxo-2-(trifluoromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Smiles: CCOc1cc(ccc1OCc1ccccc1C#N)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F

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Molecular Weight: 499.47
Empirical Formula: C23H16F3N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.818
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 136
Number of rings: 4

     

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