COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK531518
Chemical Name: (6E)-5-imino-6-{2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Smiles: COc1ccccc1OCCOc1ccc(cc1/C=C\1/C(=O)N=c2n(C1=N)nc(s2)C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 535.46
Empirical Formula: C22H16F3N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.938
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 167
Number of rings: 4

     

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