COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529484
Chemical Name: (5E)-1-butyl-5-({[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)methyl]amino}methylidene)-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: CCCCN1C(=NC(=O)/C(=C\NCC2[NH+](C)CCc3c2c(OC)c2c(c3)OCO2)/C1=O)[S-]

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Molecular Weight: 460.55
Empirical Formula: C22H28N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.026
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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