COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL345519
Chemical Name: 6-oxo-1,3-diphenyl-5-(1,2,3,4-tetrahydroisoquinolinium-1-ylacetyl)-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-olate
Smiles: O=C(c1c([O-])n(c2ccccc2)c(=S)n(c1=O)c1ccccc1)CC1[NH2+]CCc2c1cccc2

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Molecular Weight: 469.56
Empirical Formula: C27H23N3O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.737
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 5

     

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