COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042414
Chemical Name: 4-[(E)-{5-iminio-7-oxo-2-[2-oxo-2-(piperidin-1-yl)ethyl]-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene}methyl]-2,6-dimethoxyphenolate
Smiles: COc1cc(/C=C\2/C(=O)N=c3n(C2=[NH2+])nc(s3)CC(=O)N2CCCCC2)cc(c1[O-])OC

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Molecular Weight: 457.51
Empirical Formula: C21H23N5O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.371
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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