COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055873
Chemical Name: 4-{(E)-[5-iminio-7-oxo-2-(pentan-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenolate
Smiles: CCC(c1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)OC)[O-])/C2=[NH2+])s1)CC

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Molecular Weight: 372.45
Empirical Formula: C18H20N4O3S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.014
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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