COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528910
Chemical Name: (5E)-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-1-methyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: COc1c2c(CC[NH+](C2CN/C=C/2\C(=O)N=C(N(C2=O)C)[S-])C)cc2c1OCO2

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Molecular Weight: 418.47
Empirical Formula: C19H22N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.432
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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