COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL242595
Chemical Name: ethyl[(2Z)-2-({[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Smiles: CCOC(=O)Cc1cs/c(=N\C(=O)c2cn(CCC(C)C)c(=O)c3c2cccc3)/[nH]1

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Molecular Weight: 427.52
Empirical Formula: C22H25N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.145
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 113
Number of rings: 3

     

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