COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK073596
Chemical Name: 4-{(E)-[5-imino-7-oxo-2-(1-phenylpropyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}benzoicacid
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(cc3)C(=O)O)/C2=N)s1)c1ccccc1

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Molecular Weight: 418.48
Empirical Formula: C22H18N4O3S

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 2.98
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 131
Number of rings: 4

     

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