COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL553457
Chemical Name: 5-[({(Z)-[1-(4-fluorophenyl)-2-hydroxy-4,6-dioxo-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}amino)methyl]-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Smiles: COc1c2OCOc2cc2c1C(CN/C=C\1/C(=O)N=C(N(C1=O)c1ccc(cc1)F)O)[N+](CC2)(C)C

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Saltdata: I-
Molecular Weight: 497.5
Empirical Formula: C25H26FN4O6

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: -1.702
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 109
Number of rings: 5

     

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