COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL527532
Chemical Name: 3-(butan-2-yl)-2-({2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl}sulfanyl)-6-hydroxypyrimidin-4(3H)-one
Smiles: CCC(n1c(SCC(=O)N2CCc3c([C@@H]2C)cc(c(c3)OC)OC)nc(cc1=O)O)C

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Molecular Weight: 447.56
Empirical Formula: C22H29N3O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.02
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 116
Number of rings: 3

     

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