COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048876
Chemical Name: 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium-1-yl)-1-(3,5-dimethylphenyl)-4-hydroxy-6-oxo-1,6-dihydropyrimidine-2-thiolate
Smiles: COc1cc2c(cc1OC)CC[NH2+]C2c1c(O)nc(n(c1=O)c1cc(C)cc(c1)C)[S-]

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Molecular Weight: 439.54
Empirical Formula: C23H25N3O4S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.714
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 87
Number of rings: 4

     

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