COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL250419
Chemical Name: methyl(2E)-4-methyl-2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-5-carboxylate
Smiles: COC(=O)c1s/c(=N/C(=O)c2cn(CC(C)C)c(=O)c3c2cccc3)/[nH]c1C

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Molecular Weight: 399.47
Empirical Formula: C20H21N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.689
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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